SCHEMBL11031171

SCHEMBL11031171

CC(C(O)c1ccc2c(c1)OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.79
HSD11B1 P28845 1/20 0.62
OPRD1 P41143 4/20 0.55
OPRK1 P41145 4/20 0.55
OPRL1 P41146 2/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
CHRM2 P08172 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
HTR7 P34969 1/20 0.55
DRD3 P35462 1/20 0.55
PLD1 Q13393 3/20 0.53
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
TACR2 P21452 1/20 0.51
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51
SLC6A2 P23975 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
SCHEMBL31422682 0.85 OPRM1 (0.75) OPRM1OPRD1OPRK1OPRL1PLD1
Hydrochloric Acid SCHEMBL11033620 0.85 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1ADRA1D
SCHEMBL11031960 0.83 OPRM1 (0.62) OPRM1HSD11B1OPRD1OPRK1OPRL1
SCHEMBL11032558 0.83 OPRM1 (0.70) OPRM1HSD11B1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL11033857 0.83 OPRM1 (0.62) OPRM1OPRD1OPRK1OPRL1PLD1
SCHEMBL10416342 0.81 OPRM1 (0.68) OPRM1HSD11B1OPRD1OPRK1OPRL1
SCHEMBL11030553 0.81 HSD11B1 (0.73) OPRM1HSD11B1OPRD1OPRK1OPRL1
SCHEMBL10416823 0.81 OPRM1 (0.62) OPRM1HSD11B1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL11033809 0.80 HSD11B1 (0.72) OPRM1HSD11B1OPRD1OPRK1OPRL1
SCHEMBL10692072 0.80 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1PLD1

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