SCHEMBL4779429

SCHEMBL4779429

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCO)C[C@@H]1c1cc[c]c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4022338 0.94 MEN1 (0.32) MC4RMEN1KMT2A
SCHEMBL4019857 0.93 MC4R (0.31) MC4RMEN1KMT2A
SCHEMBL4021534 0.92 MEN1 (0.34) MC4RMEN1KMT2A
SCHEMBL4020633 0.87 MEN1 (0.35) MC4RMEN1KMT2A
SCHEMBL4022527 0.85 CARM1 (0.31) MEN1KMT2A
SCHEMBL4023509 0.85 CARM1 (0.31) MEN1KMT2A
SCHEMBL4025180 0.84 MEN1 (0.35) MC4RMEN1KMT2A
SCHEMBL4751303 0.83 KDM2B (0.33) MC4RMEN1KMT2A
SCHEMBL4022172 0.83 CARM1 (0.32) MEN1KMT2A
SCHEMBL4019668 0.83 HRH2 (0.34) MC4RMEN1KMT2A

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