SCHEMBL6176767

SCHEMBL6176767

CCN(CC)C(=O)c1ccc(N(c2ccccc2C(N)=O)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 1.00
OPRM1 P35372 17/20 1.00
OPRK1 P41145 13/20 0.80

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
SCHEMBL5879325 0.92 OPRD1 (0.85) OPRD1OPRM1OPRK1
SCHEMBL5879329 0.89 OPRD1 (0.81) OPRD1OPRM1OPRK1
SCHEMBL6394863 0.87 OPRD1 (0.88) OPRD1OPRM1OPRK1
SCHEMBL5879321 0.87 OPRD1 (0.76) OPRD1OPRM1OPRK1
SCHEMBL5879405 0.85 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL5879326 0.85 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL6395295 0.85 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL5879362 0.84 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL5879365 0.84 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL6865749 0.84 OPRD1 (0.83) 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
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