SCHEMBL7569682

SCHEMBL7569682

c1cc2c(ccn2C2CCN3CCCC3C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CDK2 P24941 2/20 0.32
CDC7 O00311 1/20 0.32
BTK Q06187 1/20 0.32
CDK4 P11802 1/20 0.32
HTR6 P50406 1/20 0.32
JAK2 O60674 1/20 0.32
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL7570882 0.90 OPRM1 (0.39) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL6775059 0.81 OPRM1 (0.58) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL30909064 0.81 OPRM1 (0.58) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL26707698 0.78 AOC3 (0.41) OPRM1OPRD1OPRK1OPRL1KDM4C
SCHEMBL7497513 0.78 OPRM1 (0.34) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL30909174 0.77 OPRM1 (0.56) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL6742428 0.74 HTR7 (0.50) OPRM1OPRD1OPRK1OPRL1HTR6
SCHEMBL26408386 0.73 OPRM1 (0.43) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL7002395 0.71 HTR6 (0.39) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL24110147 0.70 CDC7 (0.35) KDM4CDRD2SLC6A4CDK2CDC7

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