SCHEMBL5879359

SCHEMBL5879359

CCN(CC)C(=O)c1ccc(N(c2c(F)cccc2C(N)=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.65
OPRM1 P35372 17/20 0.65
OPRK1 P41145 14/20 0.63

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
SCHEMBL5879322 0.93 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL5879321 0.93 OPRD1 (0.76) OPRD1OPRM1OPRK1
SCHEMBL5879363 0.90 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL5879362 0.89 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL5879347 0.88 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5879374 0.87 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL5879369 0.86 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5879312 0.85 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL5879350 0.85 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5879355 0.85 OPRD1 (0.57) 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
EP-1395558-B1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-12-21 EP claimed
EP-1395558-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-2002094783-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-7064137-B2 Analgesics; anxiolytic agents; gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-20 US disclosed