SCHEMBL11564823

SCHEMBL11564823

CCOC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.54
OPRD1 P41143 3/20 0.54
CACNA1C Q13936 1/20 0.54
OPRK1 P41145 1/20 0.54
MAPT P10636 1/20 0.42

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
SCHEMBL11565239 0.89 OPRM1 (0.68) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11567961 0.89 OPRM1 (0.55) OPRM1OPRD1CACNA1COPRK1
SCHEMBL15817257 0.82 OPRM1 (0.66) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11563016 0.82 OPRM1 (0.57) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11559595 0.81 OPRM1 (0.78) OPRM1OPRD1CACNA1COPRK1MAPT
SCHEMBL11457307 0.80 OPRM1 (0.52) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11564513 0.80 OPRM1 (0.71) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11568687 0.79 OPRM1 (0.64) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11464093 0.79 CACNA1C (0.52) OPRM1OPRD1CACNA1COPRK1
SCHEMBL4236765 0.78 OPRM1 (0.63) OPRM1OPRD1CACNA1COPRK1

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-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed