SCHEMBL7570882

SCHEMBL7570882

c1cc2ccn(C3CCN4CCCC4C3)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
KDM2B Q8NHM5 1/20 0.37
MAPT P10636 4/20 0.37
AOC3 Q16853 2/20 0.36
KCNH2 Q12809 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP19A1 P11511 1/20 0.34
HTR6 P50406 1/20 0.34
CDK4 P11802 1/20 0.34
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7569682 0.90 HRH3 (0.40) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL30909064 0.81 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL6775059 0.81 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL30909174 0.77 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL6742428 0.76 HTR7 (0.50) OPRM1OPRD1OPRK1OPRL1HTR6
SCHEMBL29856216 0.72 GSK3B (0.53) MAPTAOC3KCNH2KDM4CCYP19A1
SCHEMBL7568482 0.71 MAPT (0.42) KDM2BMAPTCYP19A1
SCHEMBL24110238 0.70 MAPT (0.39) MAPTAOC3CYP19A1CDK4
SCHEMBL7002395 0.69 HTR6 (0.39) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL7497513 0.68 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP claimed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO claimed
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO disclosed