SCHEMBL11031463

SCHEMBL11031463

O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.74
OPRM1 P35372 8/20 0.63
OPRK1 P41145 5/20 0.63
OPRD1 P41143 3/20 0.63
ADRA1A P35348 3/20 0.63
ADRA1D P25100 2/20 0.63
ADRA1B P35368 2/20 0.63
CHRM2 P08172 2/20 0.63
CHRM1 P11229 2/20 0.63
DRD3 P35462 2/20 0.63
OPRL1 P41146 2/20 0.63
CHRM5 P08912 1/20 0.63
HTR7 P34969 1/20 0.63
HTR1A P08908 2/20 0.56
DRD1 P21728 2/20 0.56
SLC6A2 P23975 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
TACR2 P21452 1/20 0.56
DRD5 P21918 1/20 0.56
HTR1B P28222 1/20 0.56

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
SCHEMBL11099453 0.85 HSD11B1 (0.54) HSD11B1OPRM1OPRK1OPRD1ADRA1A
SCHEMBL11033245 0.84 PLD2 (0.71) HSD11B1OPRM1OPRK1ADRA1ACHRM2
SCHEMBL11268724 0.84 OPRK1 (0.58) HSD11B1OPRM1OPRK1ADRA1AADRA1D
SCHEMBL5777516 0.83 PLD2 (0.68) OPRM1OPRK1ADRA1ACHRM2CHRM1
Bromide SCHEMBL11034926 0.83 OPRK1 (0.57) HSD11B1OPRM1OPRK1ADRA1AADRA1D
Hydrochloric Acid SCHEMBL11327865 0.83 ADRB2 (0.57) HSD11B1OPRM1OPRK1ADRA1AADRA1D
SCHEMBL11430686 0.82 PLD2 (0.61) HSD11B1OPRM1OPRK1ADRA1ACHRM2
SCHEMBL11030553 0.82 HSD11B1 (0.73) HSD11B1OPRM1OPRK1OPRD1ADRA1A
SCHEMBL4439034 0.82 OPRM1 (0.71) OPRM1OPRK1ADRA1AADRA1DCHRM2
SCHEMBL4439003 0.82 OPRM1 (0.69) HSD11B1OPRM1OPRK1ADRA1ACHRM2

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