SCHEMBL5113071

SCHEMBL5113071

Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(CC(=O)NCCCC(=O)O)CCCC3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.42
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
CACNA2D1 P54289 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
CCR5 P51681 1/20 0.37

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
SCHEMBL4930441 0.98 OPRM1 (0.41) OPRM1OPRD1OPRK1CACNA2D1CHRM2
SCHEMBL4691751 0.95 OPRM1 (0.43) OPRM1OPRD1OPRK1CACNA2D1CHRM2
SCHEMBL4690302 0.92 OPRM1 (0.39) OPRM1OPRD1OPRK1CACNA2D1CHRM2
SCHEMBL4691349 0.91 OPRM1 (0.39) OPRM1OPRD1OPRK1CACNA2D1CHRM2
SCHEMBL4686658 0.91 OPRM1 (0.44) OPRM1OPRD1OPRK1CACNA2D1CHRM2
SCHEMBL4687449 0.90 OPRM1 (0.47) OPRM1OPRD1OPRK1CACNA2D1CHRM2
SCHEMBL4686988 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1CACNA2D1CHRM2
SCHEMBL4688418 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4686586 0.89 OPRM1 (0.39) OPRM1OPRD1OPRK1CACNA2D1CHRM2
SCHEMBL1847389 0.89 OPRM1 (0.48) OPRM1OPRD1OPRK1CACNA2D1CHRM2

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-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed