SCHEMBL11033800

SCHEMBL11033800

COc1ccc(C(=O)C(C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.62
PLD1 Q13393 11/20 0.58
OPRM1 P35372 3/20 0.57
PLD2 O14939 8/20 0.57
TLR9 Q9NR96 1/20 0.55
TLR8 Q9NR97 1/20 0.55
TLR7 Q9NYK1 1/20 0.55
OPRK1 P41145 2/20 0.52
OPRD1 P41143 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
SCHEMBL11032636 0.91 PLD1 (0.64) HSD11B1PLD1OPRM1PLD2OPRK1
SCHEMBL11221912 0.90 HSD11B1 (0.50) HSD11B1PLD1OPRM1PLD2TLR9
SCHEMBL11207325 0.89 HSD11B1 (0.54) HSD11B1PLD1OPRM1PLD2TLR9
SCHEMBL11206461 0.88 HSD11B1 (0.64) HSD11B1PLD1OPRM1PLD2
SCHEMBL10416280 0.87 OPRM1 (0.63) HSD11B1PLD1OPRM1PLD2OPRK1
SCHEMBL11033997 0.86 PLD1 (0.53) HSD11B1PLD1OPRM1PLD2OPRK1
SCHEMBL31422674 0.85 OPRM1 (0.71) PLD1OPRM1PLD2OPRK1OPRD1
Bromide SCHEMBL11033791 0.85 PLD1 (0.60) HSD11B1PLD1OPRM1PLD2OPRK1
SCHEMBL11030553 0.83 HSD11B1 (0.73) HSD11B1PLD1OPRM1PLD2OPRK1
Hydrochloric Acid SCHEMBL11033809 0.82 HSD11B1 (0.72) HSD11B1PLD1OPRM1PLD2OPRK1

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