SCHEMBL11033997

SCHEMBL11033997

CC(C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 11/20 0.53
OPRM1 P35372 5/20 0.52
PLD2 O14939 8/20 0.52
HSD11B1 P28845 3/20 0.51
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL11033928 0.88 HSD11B1 (0.56) PLD1OPRM1PLD2HSD11B1OPRK1
SCHEMBL11033800 0.86 HSD11B1 (0.62) PLD1OPRM1PLD2HSD11B1OPRK1
SCHEMBL11030737 0.83 OPRM1 (0.57) PLD1OPRM1PLD2HSD11B1OPRK1
SCHEMBL11031792 0.83 OPRM1 (0.55) PLD1OPRM1OPRK1OPRL1
SCHEMBL31422674 0.82 OPRM1 (0.71) PLD1OPRM1PLD2OPRK1OPRL1
SCHEMBL11032636 0.81 PLD1 (0.64) PLD1OPRM1PLD2HSD11B1OPRK1
Bromide SCHEMBL11033791 0.80 PLD1 (0.60) PLD1OPRM1PLD2HSD11B1OPRK1
SCHEMBL10416280 0.79 OPRM1 (0.63) PLD1OPRM1PLD2HSD11B1OPRK1
SCHEMBL11030553 0.79 HSD11B1 (0.73) PLD1OPRM1PLD2HSD11B1OPRK1
Hydrochloric Acid SCHEMBL11033809 0.78 HSD11B1 (0.72) PLD1OPRM1PLD2HSD11B1OPRK1

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