SCHEMBL20653752

SCHEMBL20653752

COc1ccc(CN2C[C@]3(C[C@@](c4cccc(F)c4)(N(C)C)C3)NC2=O)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.85
OPRL1 P41146 19/20 0.85

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
SCHEMBL20640202 1.00 OPRM1 (0.85) OPRM1OPRL1
SCHEMBL20653754 1.00 OPRM1 (0.85) OPRM1OPRL1
SCHEMBL19094091 0.92 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL19104819 0.92 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL29460866 0.92 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL19094089 0.92 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL20389064 0.92 OPRM1 (0.81) OPRM1OPRL1
SCHEMBL20640201 0.87 OPRM1 (0.84) OPRM1OPRL1
SCHEMBL20647621 0.87 OPRM1 (0.84) OPRM1OPRL1
SCHEMBL20647605 0.87 OPRM1 (0.84) OPRM1OPRL1

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
EP-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 EP disclosed
WO-2019012037-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 WO disclosed