SCHEMBL4415739

SCHEMBL4415739

CC(c1cc[nH]n1)c1cn(CCCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)cc2)c(SCc2ccc(F)cc2)nc1=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.63
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL5867319 0.87 PLA2G7 (0.66) PLA2G7CYP3A4
SCHEMBL4425606 0.83 PLA2G7 (0.64) PLA2G7
SCHEMBL4411626 0.78 PLA2G7 (0.64) PLA2G7CYP3A4CYP2D6
SCHEMBL4415740 0.78 PLA2G7 (0.79) PLA2G7CYP3A4
SCHEMBL5867320 0.78 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4552498 0.77 PLA2G7 (1.00) PLA2G7
SCHEMBL5867356 0.74 PLA2G7 (0.62) PLA2G7
SCHEMBL4415561 0.74 PLA2G7 (0.85) PLA2G7
SCHEMBL4425607 0.73 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4425722 0.73 PLA2G7 (0.57) PLA2G7

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
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed