SCHEMBL5829610

SCHEMBL5829610

CC(C)N(C(=O)c1ccc(N(c2cccc(C(N)=O)c2F)C2CCN(Cc3ccco3)CC2)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.51
OPRM1 P35372 12/20 0.51
OPRK1 P41145 11/20 0.46
PARP1 P09874 3/20 0.45
PARP2 Q9UGN5 1/20 0.44
MAPK8 P45983 1/20 0.37

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
SCHEMBL5879313 0.90 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL5829609 0.89 OPRD1 (0.46) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL5830263 0.87 OPRD1 (0.68) OPRD1OPRM1OPRK1
SCHEMBL5830028 0.86 OPRD1 (0.55) OPRD1OPRM1OPRK1PARP2
SCHEMBL5829898 0.85 OPRD1 (0.51) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL6746450 0.85 OPRM1 (0.37) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL5829862 0.85 OPRD1 (0.58) OPRD1OPRM1OPRK1PARP1
SCHEMBL5829735 0.84 OPRD1 (0.51) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL5632123 0.83 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL5829870 0.83 OPRM1 (0.53) OPRD1OPRM1OPRK1PARP1

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 3 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
US-7008952-B2 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-03-07 US disclosed