SCHEMBL11033261

SCHEMBL11033261

COc1cc(C(O)C(C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.60
PLD1 Q13393 3/20 0.57
PLD2 O14939 2/20 0.57
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
HSD11B1 P28845 3/20 0.53
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51

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
SCHEMBL11031960 0.91 OPRM1 (0.62) OPRM1PLD1PLD2OPRD1OPRK1
SCHEMBL11217080 0.89 PLD2 (0.50) OPRM1PLD1PLD2OPRD1OPRK1
SCHEMBL11258172 0.88 OPRM1 (0.58) OPRM1PLD1PLD2HSD11B1
SCHEMBL11256014 0.87 OPRM1 (0.47) OPRM1PLD1PLD2OPRD1OPRK1
SCHEMBL11221635 0.87 PLD1 (0.51) OPRM1PLD1PLD2OPRD1OPRK1
SCHEMBL10416823 0.86 OPRM1 (0.62) OPRM1PLD1OPRD1OPRK1OPRL1
SCHEMBL31422682 0.85 OPRM1 (0.75) OPRM1PLD1PLD2OPRD1OPRK1
SCHEMBL11221627 0.84 PLD2 (0.43) OPRM1PLD1PLD2OPRK1
SCHEMBL10416342 0.83 OPRM1 (0.68) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL11032636 0.83 PLD1 (0.64) OPRM1PLD1PLD2OPRD1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0018417-B1 NOVEL PIPERIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1982-06-30 EP disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 EP disclosed