SCHEMBL6997344

SCHEMBL6997344

COc1ccccc1N1CCN(CCCn2ccc3ccc(C#N)cc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.56
DRD3 P35462 8/20 0.56
DRD4 P21917 6/20 0.56
HTR1A P08908 3/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 1/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
ADRA1A P35348 1/20 0.51
DRD1 P21728 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7950558 0.99 DRD2 (0.55) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL6999464 0.81 HTR7 (0.41) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL6990810 0.80 SLC2A1 (0.41) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL6999138 0.78 HTR7 (0.42) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7943817 0.77 HTR7 (0.42) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL15748302 0.77 HTR1A (0.58) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL6526368 0.77 DRD2 (0.85) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL6992487 0.75 NOS3 (0.51) HTR7
SCHEMBL15326104 0.75 DRD2 (0.54) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL6995702 0.74 HTR7 (0.44) DRD2HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023898-B1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands SERVIER LAB (FR) 2003-03-12 EP disclosed
EP-1023898-A1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands ADIR ET COMPAGNIE (FR) 2000-08-02 EP disclosed