SCHEMBL4688485

SCHEMBL4688485

Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(CCCCCC(CO)C(=O)O)CCCCC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.50
OPRD1 P41143 3/20 0.50
OPRK1 P41145 3/20 0.50
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
CCR5 P51681 1/20 0.42

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
SCHEMBL4688290 0.89 OPRM1 (0.55) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4686649 0.88 OPRM1 (0.52) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4688809 0.87 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690361 0.87 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4693192 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL1846845 0.84 OPRM1 (0.55) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL1846545 0.84 OPRM1 (0.55) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4687336 0.84 OPRM1 (0.58) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690629 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690434 0.84 OPRM1 (0.55) OPRM1OPRD1OPRK1CHRM2CHRM3

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-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed