SCHEMBL5829658

SCHEMBL5829658

CC(C)N(C(=O)c1ccc(N(c2cc(C(N)=O)ccc2F)C2CCN(Cc3cccnc3)CC2)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.51
OPRM1 P35372 10/20 0.51
OPRK1 P41145 9/20 0.51
CHRM3 P20309 1/20 0.46
CYP3A4 P08684 3/20 0.45
UBE2M P61081 3/20 0.42
DCUN1D1 Q96GG9 3/20 0.42

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
SCHEMBL5879381 0.91 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL5828654 0.90 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL5830266 0.90 OPRD1 (0.62) OPRD1OPRM1OPRK1CHRM3
SCHEMBL5830258 0.87 OPRD1 (0.56) OPRD1OPRM1OPRK1CHRM3CYP3A4
SCHEMBL5830256 0.86 OPRD1 (0.50) OPRD1OPRM1OPRK1CHRM3CYP3A4
SCHEMBL5829642 0.85 OPRM1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL5829932 0.84 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL5829612 0.84 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL5829663 0.83 DRD4 (0.42) OPRD1OPRM1OPRK1CHRM3CYP3A4
SCHEMBL5829602 0.82 OPRD1 (0.46) 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