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

  

  Lead chromate

  Check on pubchem

  

  2

  

  Coprexa

  Check on drugmap

  

  3

  

  Copper

  Check on pubchem

  

  4

  

  Copper(II) oxide

  Check on pubchem

  0.0%

  ---

  5

  

  Dioxothiomolybdenum(...

  Check on drugmap

  0.0%

  ---

  6

  

  Copper(II) sulfide

  Check on pubchem

  0.0%

  ---

  7

  

  Cadmium

  Check on pubchem

  0.0%

  ---

  8

  

  Methyl Mercury Ion

  Check on drugmap

  0.0%

  ---

  9

  

  Iron

  Check on pubchem

  

  Iron

  Check on drugmap

  0.0%

  ---

  10

  

  Ferrous oxide

  Check on pubchem

  0.0%

  ---

  11

  

  Ferrous sulfide

  Check on pubchem

  0.0%

  ---

  12

  

  Cu(II) oxide

  Check on pubchem

  0.0%

  ---

  13

  

  Copper sulfide (CuS2...

  Check on pubchem

  0.0%

  ---

  14

  

  Lead chromate oxide ...

  Check on pubchem

  0.0%

  ---

  15

  

  Cadmium oxide

  Check on pubchem

  0.0%

  ---

  16

  

  chromium (VI) trioxi...

  Check on pubchem

  0.0%

  ---

  17

  

  Chromium trioxide

  Check on pubchem

  0.0%

  ---

  18

  

  Chromium dioxide

  Check on pubchem

  0.0%

  ---

  19

  

  Chromium

  Check on pubchem

  0.0%

  ---

  20

  

  Cobaltsulfide

  Check on pubchem

  0.0%

  ---

  21

  

  Cobalt sulfide

  Check on pubchem

  0.0%

  ---

  22

  

  Cobalt(II)oxide

  Check on pubchem

  0.0%

  ---

  23

  

  Cobalt(II) oxide

  Check on pubchem

  0.0%

  ---

  24

  

  Cobalt-60

  Check on pubchem

  

  Cobalt

  Check on pubchem

  0.0%

  ---

  25

  

  Californium

  Check on pubchem

  

  Californium-252

  Check on pubchem

  0.0%

  ---

  26

  

  Cadmium sulphuratum ...

  Check on pubchem

  0.0%

  ---

  27

  

  Cadmium sulfide

  Check on pubchem

  0.0%

  ---

  28

  

  TIP

  Check on drugmap

  0.0%

  ---

  29

  

  HYDROSULFIDE

  Check on drugmap

  0.0%

  ---

  30

  

  Cadmium(2+);oxygen(2...

  Check on pubchem

  0.0%

  ---

• 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

    

    bupropion

    

    Bupropion

    

    Bupropion

    

    Bupropion

    

    Bupropion

    

    2

    

    hot-7

    

    HOT-7

    

    HOT-7

    

    3

    

    bromazepam

    

    Bromazepam

    

    Bromazepam

    

    Bromazepam

    

    4

    

    Diazepam

    

    diazepam

    

    Diazepam

    

    Diazepam

    

    Diazépam

    

    Diazepam

    

    Diazepam

    0.0%

    ---

    5

    

    Doxylamine

    

    doxylamine

    

    Doxylamine

    

    Doxylamine

    

    Doxylamine

    0.0%

    ---

    6

    

    cyclopropylmescaline

    

    Cyclopropylmescaline

    

    Cyclopropylmescaline

    0.0%

    ---

    7

    

    dibutylone

    

    Dibutylone

    

    Dibutylone

    0.0%

    ---

    8

    

    glutethimide

    

    Glutethimide

    

    Glutethimide

    0.0%

    ---

    9

    

    hot-2

    

    HOT-2

    

    HOT-2

    0.0%

    ---

    10

    

    U-47700

    

    u-47700

    

    U-47,700

    

    3,4-dichloro-N-[(1R,...

    

    U-47700

    

    U-47700

    0.0%

    ---

    11

    

    bod

    

    BOD

    

    BOD (psychedelic)

    0.0%

    ---

    12

    

    4-HO-DiPT

    

    4-ho-dipt

    

    4-HO-DIPT

    

    4-HO-DiPT

    

    4-HO-DiPT

    0.0%

    ---

    13

    

    4-HO-DPT

    

    4-ho-dpt

    

    4-HO-DPT

    

    4-HO-DPT

    

    4-HO-DPT

    0.0%

    ---

    14

    

    5-MeO-EiPT

    

    5-meo-eipt

    

    5-MeO-EIPT

    

    5-MeO-EiPT

    0.0%

    ---

    15

    

    Tramadol

    

    tramadol

    

    Tramadol

    

    Tramadol

    

    Tramadol

    

    Tramadol

    

    Tramadol

    0.0%

    ---

    16

    

    nordazepam

    

    Nordazepam

    

    Nordazepam

    

    Nordazepam

    0.0%

    ---

    17

    

    Flubromazolam

    

    flubromazolam

    

    Flubromazolam

    

    Flubromazolam

    0.0%

    ---

    18

    

    nitrazepam

    

    Nitrazepam

    

    Nitrazepam

    

    Nitrazepam

    0.0%

    ---

    19

    

    Zaleplon

    

    sonata

    

    Zaleplon

    

    Zaleplon

    

    Zaleplon

    0.0%

    ---

    20

    

    Sertraline

    

    sertraline

    

    Sertraline

    

    Sertraline

    

    Sertraline

    

    Sertraline

    0.0%

    ---

    21

    

    Promethazine

    

    promethazine

    

    Promethazine

    

    Promethazine

    

    Promethazine

    

    Promethazine

    0.0%

    ---

    22

    

    crl-40-940

    

    CRL-40,940

    

    CRL-40,940

    0.0%

    ---

    23

    

    crl-40-941

    

    CRL-40,941

    

    CRL-40,941

    0.0%

    ---

    24

    

    zolazepam

    

    Zolazepam

    0.0%

    ---

    25

    

    2-mppp

    

    2-MPPP

    

    2-Methyl-1-phenyl-2-...

    0.0%

    ---

    26

    

    3-mec

    

    3-MEC

    0.0%

    ---

    27

    

    4-emc

    

    4-EMC

    

    4-Ethylmethcathinone

    0.0%

    ---

    28

    

    2-me-dmt

    

    2-Methyl-DMT

    

    2,N,N-TMT

    0.0%

    ---

    29

    

    Armodafinil

    

    Modafinil

    

    modafinil

    

    armodafinil

    

    Modafinil

    

    Armodafinil

    

    Modafinil

    

    Armodafinil

    

    Modafinil

    

    Armodafinil

    

    Armodafinil

    

    Modafinil

    0.0%

    ---

    30

    

    α-pbp

    

    α-PBP

    

    Alpha-Pyrrolidinobut...

    0.0%

    ---

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

  O-Hydroxylation of monosubstituted benzene

  Product:

  InChI=1S/C21H16N4O2/...

  Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C21H16N4O2/...

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

  Hydroxylation of benzene on carbon para to electron donating group

  Product:

  InChI=1S/C21H16N4O2/...

  Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

  Hydroxylation of heteroalicyclic secondary carbon

  Product:

  InChI=1S/C21H16N4O2/...

  Enzymes: CYP1A2, CYP2A6, CYP2C9, CYP2D6, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C21H16N4O2/...

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

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C21H16N4O2/...

  Enzymes: CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4
  Reactions that metabolism produce from this molecule

  O-Hydroxylation of monosubstituted benzene

  Product:

  InChI=1S/C21H16N4O2/...

  Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C21H16N4O2/...

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

  Hydroxylation of benzene on carbon para to electron donating group

  Product:

  InChI=1S/C21H16N4O2/...

  Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

  Hydroxylation of heteroalicyclic secondary carbon

  Product:

  InChI=1S/C21H16N4O2/...

  Enzymes: CYP1A2, CYP2A6, CYP2C9, CYP2D6, CYP3A4

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C21H16N4O2/...

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

  Aromatic hydroxylation of fused benzene ring

  Product:

  InChI=1S/C21H16N4O2/...

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