SCHEMBL11569258

SCHEMBL11569258

CCOC(=O)N(c1ccc(OC)cc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.71
OPRD1 P41143 6/20 0.71
OPRK1 P41145 3/20 0.71
CACNA1C Q13936 1/20 0.55
OPRL1 P41146 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL11564695 0.90 OPRM1 (0.86) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11562163 0.90 OPRM1 (0.68) OPRM1OPRD1OPRK1CACNA1CMEN1
SCHEMBL11564513 0.87 OPRM1 (0.71) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11565333 0.87 OPRM1 (0.73) OPRM1OPRD1OPRK1
SCHEMBL11566229 0.87 OPRM1 (0.71) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11565468 0.87 OPRM1 (0.86) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11565122 0.85 OPRM1 (0.80) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11563017 0.84 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL11565358 0.83 OPRM1 (0.88) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL116222 0.83 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1

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