SCHEMBL11567263

SCHEMBL11567263

CCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(C(C)Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.53
OPRD1 P41143 4/20 0.53
OPRK1 P41145 2/20 0.53
CACNA1C Q13936 1/20 0.47

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
SCHEMBL11563405 0.89 OPRM1 (0.68) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11564147 0.83 OPRM1 (0.68) OPRM1OPRD1OPRK1
SCHEMBL6045452 0.81 OPRM1 (0.62) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL3303683 0.79 OPRM1 (0.80) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11567961 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL4236765 0.77 OPRM1 (0.63) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL20953915 0.76 CACNA1C (0.68) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11565239 0.76 OPRM1 (0.68) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL8636898 0.75 OPRM1 (0.50) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL4252412 0.75 OPRM1 (0.58) OPRM1OPRD1OPRK1CACNA1C

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