SCHEMBL11032636

SCHEMBL11032636

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 11/20 0.64
PLD2 O14939 8/20 0.64
HSD11B1 P28845 3/20 0.60
OPRM1 P35372 6/20 0.57
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52

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
SCHEMBL11033800 0.91 HSD11B1 (0.62) PLD1PLD2HSD11B1OPRM1OPRD1
SCHEMBL11205387 0.89 PLD1 (0.56) PLD1PLD2HSD11B1OPRM1OPRD1
SCHEMBL11222098 0.88 HSD11B1 (0.62) PLD1PLD2HSD11B1OPRM1
SCHEMBL11206487 0.87 PLD1 (0.51) PLD1PLD2HSD11B1OPRM1OPRD1
SCHEMBL11199321 0.87 PLD1 (0.51) PLD1PLD2HSD11B1OPRM1OPRD1
SCHEMBL11199325 0.87 PLD1 (0.51) PLD1PLD2HSD11B1OPRM1OPRD1
SCHEMBL11199327 0.87 PLD1 (0.51) PLD1PLD2HSD11B1OPRM1OPRD1
SCHEMBL31422674 0.85 OPRM1 (0.71) PLD1PLD2OPRM1OPRD1OPRK1
SCHEMBL10416280 0.83 OPRM1 (0.63) PLD1PLD2HSD11B1OPRM1OPRD1
SCHEMBL11033261 0.83 OPRM1 (0.60) PLD1PLD2HSD11B1OPRM1OPRD1

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