SCHEMBL6600741

SCHEMBL6600741

CC(C)N(C(=O)c1ccc(N(c2c(F)cccc2C(N)=O)C2CCN(Cc3nccs3)CC2)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.44
OPRM1 P35372 11/20 0.44
OPRK1 P41145 11/20 0.41
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM4 P08173 1/20 0.37
SCN8A Q9UQD0 1/20 0.35

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
SCHEMBL5879375 0.91 OPRD1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL6600742 0.89 OPRD1 (0.49) OPRD1OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL5829897 0.87 OPRD1 (0.46) OPRD1OPRM1OPRK1CHRM4
SCHEMBL5829869 0.86 OPRM1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL5829860 0.86 OPRD1 (0.52) OPRD1OPRM1OPRK1CYP3A4
SCHEMBL6751098 0.85 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL5830262 0.85 OPRD1 (0.61) OPRD1OPRM1OPRK1CHRM4
SCHEMBL5833576 0.85 OPRD1 (0.46) OPRD1OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL5630550 0.84 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5830256 0.84 OPRD1 (0.50) OPRD1OPRM1OPRK1CYP3A4

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-1395557-A1 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders AstraZeneca AB (SE) 2004-03-10 EP claimed
WO-2002094785-A1 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2002-11-28 WO claimed