Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.

• Most structurally similar compounds. The percentage is a measure of how structurally similar those molecules are, which is often strongly correlated with their effects.
  1

  

  Dibenzo[a,l]pyrene

  Check on pubchem

  

  2

  

  P-Nitrophenyl O-toly...

  Check on pubchem

  

  3

  

  Dibenzo(A,I)pyrene

  Check on pubchem

  

  4

  

  Dibenzo(A,H)pyrene

  Check on pubchem

  49.0%

  ---

  5

  

  CN-105

  Check on drugmap

  49.0%

  ---

  6

  

  4-Nitrodiphenylamine

  Check on pubchem

  49.0%

  ---

  7

  

  Benzo[c]chrysene

  Check on pubchem

  49.0%

  ---

  8

  

  3-nitro-N-(1,3-diphe...

  Check on drugmap

  49.0%

  ---

  9

  

  8-(3-Nitro-phenyl)-6...

  Check on drugmap

  49.0%

  ---

  10

  

  Benzo[e]pyrene

  Check on pubchem

  49.0%

  ---

  11

  

  Perylene

  Check on pubchem

  49.0%

  ---

  12

  

  Benzo[G]chrysene

  Check on pubchem

  49.0%

  ---

  13

  

  Dibenzo[a,e]pyrene

  Check on pubchem

  49.0%

  ---

  14

  

  N-(naphthylamino)-be...

  Check on drugmap

  49.0%

  ---

  15

  

  6-Nitro-2-phenyl-chr...

  Check on drugmap

  49.0%

  ---

  16

  

  NSC-73613

  Check on drugmap

  49.0%

  ---

  17

  

  8-(3-Nitro-phenyl)-6...

  Check on drugmap

  49.0%

  ---

  18

  

  6-Nitro-2-(4-phenoxy...

  Check on drugmap

  49.0%

  ---

  19

  

  4-Nitrobiphenyl

  Check on pubchem

  49.0%

  ---

  20

  

  Nitrobenzanthrone

  Check on drugmap

  49.0%

  ---

  21

  

  5-Nitro-2-(4-phenoxy...

  Check on drugmap

  49.0%

  ---

  22

  

  NSC-665126

  Check on drugmap

  48.9%

  ---

  23

  

  PMID24556381C10l

  Check on drugmap

  48.9%

  ---

  24

  

  1-Nitronaphthalene

  Check on pubchem

  48.9%

  ---

  25

  

  1-Nitropyrene

  Check on pubchem

  48.7%

  ---

  26

  

  4-Nitropyrene

  Check on pubchem

  48.7%

  ---

  27

  

  6-Nitrobenzo[a]pyren...

  Check on pubchem

  48.6%

  ---

  28

  

  3-Nitrobenzo(a)pyren...

  Check on pubchem

  48.6%

  ---

  29

  

  1-Nitrobenzo(a)pyren...

  Check on pubchem

  48.6%

  ---

  30

  

  6-Nitrochrysene

  Check on pubchem

  46.0%

  ---

• Similarities computed based on affinities of molecules with selected proteins docking site.
  Similar affinitiesLess addictive similar moleculesLess addictive similar molecules bisAffinities Profile
  • List of compounds which have the most similar docking sites affinities and have also high dopamine receptor interactions, but now using addictive data predicted by a Machine Learning model. In practive this one is slightly more reliable than the other approach. This is thus a proxy to how much this molecule stimulates the dopamine receptors.
    1

    

    Diphenidine

    

    diphenidine

    

    Diphenidine

    

    Diphénidine

    

    Diphenidine

    

    2

    

    LSZ

    

    lsz

    

    LA-RR-Az

    

    LA-cis-AZ

    

    LSZ

    

    LSZ

    

    Lysergic acid 2,4-di...

    

    3

    

    PCP

    

    pcp

    

    PCP

    

    Phencyclidine

    

    PCP

    

    Phencyclidine

    

    Phencyclidine

    

    4

    

    1cP-AL-LAD

    

    1-(Cyclopropanecarbo...

    

    1cP-AL-LAD

    36.8%

    ---

    5

    

    4-mpd

    

    4-Methylpentedrone

    

    4-Methylpentedrone

    36.5%

    ---

    6

    

    2-Aminoindane

    

    2-ai

    

    2-AI

    

    2-Aminoindane

    36.4%

    ---

    7

    

    3-Me-PCP

    

    3-Me-PCP

    

    3-Methyl-PCP

    36.4%

    ---

    8

    

    4-ho-mpmi

    

    Lucigenol

    

    4-HO-MPMI

    36.3%

    ---

    9

    

    Creatine

    

    Creatine

    

    Creatine ALS-08

    36.3%

    ---

    10

    

    2-Fluorodeschloroket...

    

    2-fdck

    

    2-FDCK

    

    2-Fluorodeschloroket...

    

    2-Fluorodeschloroket...

    36.2%

    ---

    11

    

    a-pvt

    

    α-PVT

    

    Alpha-Pyrrolidinopen...

    36.2%

    ---

    12

    

    MDPV

    

    mdpv

    

    MDPV

    

    Methylenedioxypyrova...

    

    MDPV

    

    Methylenedioxypyrova...

    36.2%

    ---

    13

    

    Ketamine

    

    ketamine

    

    Ketamine

    

    Ketamine

    

    Kétamine

    

    Ketamine

    

    Ketamine

    

    Arketamine

    

    Esketamine

    36.2%

    ---

    14

    

    d2pm

    

    D2PM

    

    Diphenylprolinol

    36.1%

    ---

    15

    

    4-fluoropentedrone

    

    4F-Pentedrone

    36.1%

    ---

    16

    

    SAM-e

    

    Ademetionine

    36.1%

    ---

    17

    

    4-HO-EPT

    

    4-ho-ept

    

    4-HO-EPT

    

    4-HO-EPT

    

    4-HO-EPT

    36.1%

    ---

    18

    

    Desomorphine

    

    Desomorphine

    

    Desomorphine

    

    Desomorphine

    36.1%

    ---

    19

    

    nitrazolam

    

    Nitrazolam

    

    Nitrazolam

    36.0%

    ---

    20

    

    A-PHP

    

    alpha-php

    

    α-PHP

    

    A-PHP

    

    Alpha-Pyrrolidinohex...

    36.0%

    ---

    21

    

    Theanine

    

    l-theanine

    

    L-Theanine

    

    Théanine

    

    Theanine

    36.0%

    ---

    22

    

    mexamine

    

    5-MeO-T

    

    5-METHOXYTRYPTAMINE

    

    5-Methoxytryptamine

    36.0%

    ---

    23

    

    6-eapb

    

    6-EAPB

    36.0%

    ---

    24

    

    phentermine

    

    Phentermine

    

    Phentermine

    

    Phentermine

    

    Phentermine

    36.0%

    ---

    25

    

    3-Cl-PCP

    

    3-Cl-PCP

    

    3-Chloro-PCP

    36.0%

    ---

    26

    

    Bromo-DragonFLY

    

    bromo-dragonfly

    

    DOB-dragonFLY

    

    Bromo-DragonFLY

    

    Bromo-DragonFLY

    36.0%

    ---

    27

    

    N-Methyl-Cyclazodone

    

    N-Methylcyclazodone

    36.0%

    ---

    28

    

    nefiracetam

    

    Nefiracetam

    

    Nefiracetam

    36.0%

    ---

    29

    

    methylmorphenate

    

    Methylmorphenate

    36.0%

    ---

    30

    

    4-ho-mcpt

    35.2%

    ---

• Interaction of this molecule with metabolism ?
  Reactions that metabolize this molecule

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  Hydroxylation of aromatic carbon para to halide group

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2E1, CYP3A4

  Hydroxylation of penultimate aliphatic secondary carbon

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of terminal methyl

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  Terminal desaturation

  Product:

  InChI=1S/C16H10Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2C9, CYP2D6, CYP3A4

  Hydroxylation of aromatic carbon meta to halide group

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP2A6, CYP2B6, CYP2C9, CYP2C19, CYP2E1, CYP3A4
  Reactions that metabolism produce from this molecule

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  Hydroxylation of aromatic carbon para to halide group

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2E1, CYP3A4

  Hydroxylation of penultimate aliphatic secondary carbon

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of terminal methyl

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  Terminal desaturation

  Product:

  InChI=1S/C16H10Cl2N2...

  Enzymes: CYP1A2, CYP2A6, CYP2C9, CYP2D6, CYP3A4

  Hydroxylation of aromatic carbon meta to halide group

  Product:

  InChI=1S/C16H12Cl2N2...

  Enzymes: CYP2A6, CYP2B6, CYP2C9, CYP2C19, CYP2E1, CYP3A4