SCHEMBL4772489

SCHEMBL4772489

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(S(C)(=O)=O)C2)C[C@@H]1c1[c]cccc1O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4022671 0.88 NPSR1 (0.39) NPSR1KDM4E
SCHEMBL4020359 0.86 MC4R (0.33)
SCHEMBL4022170 0.84 NPSR1 (0.42) NPSR1KDM4E
SCHEMBL4021615 0.83 HCRTR2 (0.31)
SCHEMBL4022565 0.83 L3MBTL1 (0.30)
SCHEMBL4022340 0.80 KDM1A (0.31)
SCHEMBL4774163 0.79 KDM2B (0.31)
SCHEMBL4019979 0.79 GAA (0.40) NPSR1KDM4E
SCHEMBL4779149 0.79
SCHEMBL4028221 0.78 KDM2B (0.32)

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