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SCHEMBL6644309

SCHEMBL6644309

CCN(CC)C(=O)c1ccc(N(c2cc(C(N)=O)cc(-c3c(C(N)=O)cccc3N(c3ccc(C(=O)N(CC)CC)cc3)C3CCN(C(C)c4ncc[nH]4)CC3)c2)C2CCN(Cc3ccncc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 20/20 0.53
▸ OPRM1 P35372 17/20 0.53
▸ OPRK1 P41145 13/20 0.51

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
SCHEMBL5492785 0.81 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL5879365 0.76 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL5490009 0.76 OPRD1 (0.85) OPRD1OPRM1OPRK1
SCHEMBL5879320 0.73 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL5879364 0.73 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5488273 0.72 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL5879363 0.72 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL6176767 0.71 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL5829862 0.71 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL6329511 0.70 OPRD1 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395555-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 — — EP claimed
WO-2002094782-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 — — WO claimed