SCHEMBL4794086

SCHEMBL4794086

CCCN1C[C@H](C(=O)c2ccccc2Br)C(c2cccc(F)c2C)[C@@H](C(=O)c2ccccc2Br)C1.Cc1c(C(=O)O)cccc1C1[C@@H](C(=O)c2ccccc2)CN(CC(=O)N(C)C)C[C@@H]1C(=O)c1ccccc1.Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2ccccc2Br)CN(CC(=O)N(C)C)C[C@@H]1C(=O)c1ccccc1C#N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EED O75530 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
SCHEMBL4019773 0.89 EED (0.33) EED
SCHEMBL4019770 0.89 EED (0.33) EED
SCHEMBL4751756 0.84 DRD4 (0.35) EED
SCHEMBL4751758 0.84 DRD4 (0.35) EED
SCHEMBL4024177 0.83 EED (0.36) EED
SCHEMBL4022107 0.83 EED (0.36) EED
SCHEMBL4020303 0.81 MC4R (0.37) EED
SCHEMBL4779152 0.79 PROKR1 (0.35) EED
SCHEMBL4779147 0.79 PROKR1 (0.35) EED
SCHEMBL4019982 0.79 KMT2A (0.39) EED

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