SCHEMBL9841934

SCHEMBL9841934

CC(=O)C(CCC1CNCCN1C(c1ccc(C)cc1)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.42
OPRM1 P35372 5/20 0.42
SLC6A9 P48067 2/20 0.35
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL9842205 0.91 OPRD1 (0.43) OPRD1OPRM1SLC6A9OPRK1
SCHEMBL9842117 0.90 OPRD1 (0.36) OPRD1OPRM1SLC6A9CACNA2D1CACNA1B
SCHEMBL9842315 0.84 OPRD1 (0.41) OPRD1OPRM1SLC6A9OPRK1
SCHEMBL9842323 0.84 OPRD1 (0.35) OPRD1OPRM1SLC6A9CACNA2D1CACNA1B
SCHEMBL9842022 0.73 SIGMAR1 (0.41)
SCHEMBL9842276 0.71 MITF (0.47) OPRD1
SCHEMBL8051571 0.70 MEN1 (0.47) OPRD1OPRM1
SCHEMBL9842330 0.70 OPRD1 (0.42) OPRD1OPRM1OPRK1
SCHEMBL9842111 0.70 OPRD1 (0.40) OPRD1OPRM1
SCHEMBL25918370 0.69 SLC6A2 (0.38) OPRD1OPRM1

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-0461264-A1 ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed