SCHEMBL14462016

SCHEMBL14462016

CCN(CC)C(=O)c1ccc([C@H](c2cccc(N)c2)N2CCN(C)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.77
OPRK1 P41145 2/20 0.77
OPRM1 P35372 7/20 0.61

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
SCHEMBL14462014 1.00 OPRD1 (0.77) OPRD1OPRK1OPRM1
SCHEMBL12569777 1.00 OPRD1 (0.77) OPRD1OPRK1OPRM1
SCHEMBL12569764 0.90 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL2001758 0.89 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL13620476 0.88 OPRD1 (0.78) OPRD1OPRK1OPRM1
SCHEMBL13620474 0.88 OPRD1 (0.78) OPRD1OPRK1OPRM1
SCHEMBL5173109 0.87 OPRD1 (0.70) OPRD1OPRK1OPRM1
SCHEMBL5175367 0.87 OPRD1 (0.70) OPRD1OPRK1OPRM1
SCHEMBL12569745 0.87 OPRD1 (0.77) OPRD1OPRK1OPRM1
SCHEMBL5174203 0.86 OPRD1 (0.80) OPRD1OPRK1OPRM1

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
US-7241764-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-07-10 US disclosed