SCHEMBL11567384

SCHEMBL11567384

CCCCCCCN1CCC(C(=O)OC)(N(C(=O)CC)c2ccccc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.85
OPRD1 P41143 4/20 0.76
CACNA1C Q13936 1/20 0.76
OPRK1 P41145 1/20 0.76

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
SCHEMBL11566244 1.00 OPRM1 (0.85) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11566929 1.00 OPRM1 (0.85) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11564306 0.99 OPRM1 (0.83) OPRM1OPRD1CACNA1COPRK1
SCHEMBL8198710 0.96 OPRM1 (0.81) OPRM1OPRD1CACNA1COPRK1
SCHEMBL11563541 0.91 OPRM1 (0.82) OPRM1OPRD1CACNA1COPRK1
SCHEMBL8989346 0.91 OPRM1 (0.80) OPRM1OPRD1CACNA1COPRK1
SCHEMBL14435598 0.90 OPRM1 (0.79) OPRM1OPRD1CACNA1COPRK1
SCHEMBL10339982 0.90 CACNA1C (0.86) OPRM1OPRD1CACNA1COPRK1
SCHEMBL8989420 0.89 CACNA1C (0.79) OPRM1OPRD1CACNA1COPRK1
SCHEMBL9466827 0.88 OPRM1 (0.80) 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