SCHEMBL10416280

SCHEMBL10416280

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.63
HSD11B1 P28845 4/20 0.60
PLD1 Q13393 8/20 0.56
PLD2 O14939 5/20 0.56
OPRD1 P41143 2/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.53

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
SCHEMBL11033800 0.87 HSD11B1 (0.62) OPRM1HSD11B1PLD1PLD2OPRD1
SCHEMBL11032636 0.83 PLD1 (0.64) OPRM1HSD11B1PLD1PLD2OPRD1
SCHEMBL31422674 0.83 OPRM1 (0.71) OPRM1PLD1PLD2OPRD1OPRK1
Bromide SCHEMBL11033791 0.83 PLD1 (0.60) OPRM1HSD11B1PLD1PLD2OPRD1
SCHEMBL10416342 0.82 OPRM1 (0.68) OPRM1HSD11B1OPRD1OPRK1OPRL1
SCHEMBL11030553 0.81 HSD11B1 (0.73) OPRM1HSD11B1PLD1PLD2OPRD1
Hydrochloric Acid SCHEMBL11033809 0.81 HSD11B1 (0.72) OPRM1HSD11B1PLD1PLD2OPRD1
SCHEMBL11033928 0.79 HSD11B1 (0.56) OPRM1HSD11B1PLD1PLD2OPRK1
SCHEMBL11033997 0.79 PLD1 (0.53) OPRM1HSD11B1PLD1PLD2OPRK1
SCHEMBL10694045 0.79 PLD1 (0.54) OPRM1HSD11B1PLD1PLD2OPRD1

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 1 patent. 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 disclosed