SCHEMBL4778281

SCHEMBL4778281

CC(=O)N(C)CCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1.Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CC(O)CN)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL4027439 0.91 OPRM1 (0.35) OPRM1OPRD1
SCHEMBL4027446 0.91 OPRM1 (0.35) OPRM1OPRD1
SCHEMBL4022496 0.91 KDM2B (0.33) OPRM1
SCHEMBL4029041 0.84 KDM4E (0.38) OPRM1OPRD1
SCHEMBL4018647 0.83 KDM2B (0.33)
SCHEMBL4024525 0.83 MEN1 (0.35) OPRM1OPRD1
SCHEMBL4024540 0.83 MEN1 (0.35) OPRM1OPRD1
SCHEMBL13720775 0.83 MEN1 (0.35) OPRM1OPRD1
SCHEMBL4023578 0.83 HRH3 (0.32) OPRM1OPRD1
SCHEMBL4780110 0.82 OPRM1 (0.33) OPRM1OPRD1

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-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed