SCHEMBL10416342

SCHEMBL10416342

COc1ccc2cc(C(O)C(C)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.68
HSD11B1 P28845 2/20 0.55
OPRL1 P41146 3/20 0.55
OPRD1 P41143 3/20 0.55
OPRK1 P41145 2/20 0.54
PAX8 Q06710 1/20 0.52
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
TAAR1 Q96RJ0 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
SCHEMBL10416823 0.92 OPRM1 (0.62) OPRM1HSD11B1OPRL1OPRD1OPRK1
SCHEMBL10415393 0.89 OPRM1 (0.62) OPRM1HSD11B1OPRL1OPRD1OPRK1
SCHEMBL11031960 0.87 OPRM1 (0.62) OPRM1HSD11B1OPRL1OPRD1OPRK1
SCHEMBL10416334 0.87 OPRM1 (0.61) OPRM1HSD11B1OPRL1OPRD1OPRK1
SCHEMBL10416916 0.87 OPRM1 (0.56) OPRM1HSD11B1OPRL1OPRD1OPRK1
SCHEMBL10416914 0.85 OPRM1 (0.49) OPRM1OPRL1OPRD1OPRK1PAX8
SCHEMBL10416818 0.84 ADRA1D (0.69) OPRM1HSD11B1OPRL1OPRD1OPRK1
SCHEMBL11033261 0.83 OPRM1 (0.60) OPRM1HSD11B1OPRL1OPRD1OPRK1
SCHEMBL31422682 0.83 OPRM1 (0.75) OPRM1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL11033620 0.83 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4902799-A HYPOTENSIVE, HYPOLIPEMIC, ANTIANOXIC, SPASMOLYTIC, PLATELET AGGREGATION INHIBITING, ANTITHROMBOTIC, CALCIUM ANTAGONIZING, NEUROLEPTIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1990-02-20 US claimed
WO-1987002666-A2 BICYCLIC ALKOXY- AND ALKYLTHIO-SUBSTITUTED AMINOALCOHOLS MAGGIONI-WINTHROP S.P.A. (IT) 1987-05-07 WO claimed