SCHEMBL27459846

SCHEMBL27459846

CCN(CC)C(=O)c1ccc(C(c2cccc(C(C)=O)c2)C2CCNCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.78
OPRM1 P35372 15/20 0.56
OPRK1 P41145 6/20 0.49
ABCB11 O95342 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL27512005 0.90 OPRD1 (0.82) OPRD1OPRM1OPRK1
SCHEMBL27485227 0.88 OPRD1 (0.79) OPRD1OPRM1OPRK1
SCHEMBL6797795 0.88 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL27458260 0.87 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL27551286 0.87 OPRD1 (0.78) OPRD1OPRM1OPRK1ABCB11KCNH2
SCHEMBL27476086 0.84 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL27473306 0.83 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL27501405 0.82 OPRD1 (0.80) OPRD1OPRM1OPRK1
SCHEMBL27476085 0.82 OPRD1 (0.80) OPRD1OPRM1OPRK1ABCB11KCNH2
SCHEMBL27474131 0.81 OPRD1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519528-C Compounds with analgesic effect ASTRA PHARMACEUTICALS INC (CA) 2009-07-29 CN disclosed
CN-1524852-A Novel compounds with analgesic effect ������ҩ�����޹�˾ 2004-09-01 CN disclosed
CN-1146540-C Novel compound with analgesic effect and application thereof ������ҩ�����޹�˾ 2004-04-21 CN disclosed
CN-1246111-A Novel compound with analgesic effect ASTRA PHARMA INC (CA) 2000-03-01 CN disclosed