SCHEMBL5829602

SCHEMBL5829602

CC(C)N(C(=O)c1ccc(N(c2cc(C(N)=O)ccc2F)C2CCN(Cc3cccs3)CC2)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.46
OPRM1 P35372 13/20 0.46
OPRK1 P41145 12/20 0.46
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 1/20 0.38
CHRM4 P08173 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
SCHEMBL5879330 0.91 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL5629711 0.88 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL5829898 0.87 OPRD1 (0.51) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL5830266 0.86 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5829897 0.85 OPRD1 (0.46) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL5829612 0.85 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL5828654 0.85 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL5829817 0.83 OPRD1 (0.46) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL5829932 0.83 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL5829642 0.83 OPRM1 (0.47) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed