SCHEMBL9015302

SCHEMBL9015302

COc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.56
OPRM1 P35372 2/20 0.56
OPRD1 P41143 2/20 0.56

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
SCHEMBL8717578 0.91 OPRK1 (0.56) OPRK1OPRM1OPRD1
SCHEMBL9015370 0.91 OPRK1 (0.69) OPRK1OPRM1OPRD1
SCHEMBL8716965 0.88 OPRK1 (0.69) OPRK1OPRM1OPRD1
SCHEMBL8716519 0.87 OPRK1 (0.43) OPRK1OPRM1OPRD1
SCHEMBL8719929 0.85 OPRK1 (0.63) OPRK1OPRM1OPRD1
SCHEMBL8719973 0.84 OPRK1 (0.77) OPRK1OPRM1OPRD1
SCHEMBL8717389 0.83 OPRK1 (0.79) OPRK1OPRM1OPRD1
SCHEMBL8717387 0.80 OPRK1 (0.84) OPRK1OPRM1OPRD1
SCHEMBL8722198 0.80 OPRK1 (0.59) OPRK1OPRM1OPRD1
SCHEMBL8719776 0.80 OPRK1 (0.88) OPRK1OPRM1OPRD1

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-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed