SCHEMBL210849

SCHEMBL210849

COC(=O)CCC[C@@H](COC(=O)Nc1cc(-c2ccccc2)n(C)n1)N(NCc1cccc(F)c1F)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL212044 0.94 GRM5 (0.31) CACNA1GCACNA1HGRM5
SCHEMBL211687 0.89 MAPT (0.40) GRM5
SCHEMBL2727738 0.87 CACNA1G (0.34) TRPV4CACNA1GCACNA1HGRM5
SCHEMBL213271 0.86 SCD5 (0.34)
SCHEMBL212791 0.83 MAPT (0.40)
SCHEMBL211083 0.83 CTSK (0.35)
SCHEMBL211133 0.83 CTSK (0.35)
SCHEMBL211943 0.83 MAPT (0.41)
SCHEMBL211534 0.82 CSNK2A2 (0.40)
SCHEMBL212349 0.82 MAPT (0.34)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed