SCHEMBL5879360

SCHEMBL5879360

CCN(CC)C(=O)c1ccc(N(c2c(F)cccc2C(N)=O)C2CCN(Cc3ncc[nH]3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.57
OPRM1 P35372 15/20 0.57
OPRK1 P41145 12/20 0.57
PARP1 P09874 1/20 0.47

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
SCHEMBL5879364 0.89 OPRD1 (0.62) OPRD1OPRM1OPRK1PARP1
SCHEMBL5879355 0.87 OPRD1 (0.57) OPRD1OPRM1OPRK1PARP1
SCHEMBL5879387 0.86 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL5879363 0.86 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL5879321 0.85 OPRD1 (0.76) OPRD1OPRM1OPRK1
SCHEMBL5879375 0.85 OPRD1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL5879342 0.85 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5879394 0.84 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5488273 0.84 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL5879369 0.84 OPRD1 (0.62) 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-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
US-7064137-B2 Analgesics; anxiolytic agents; gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-20 US disclosed