SCHEMBL4415669

SCHEMBL4415669

CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2ccccc2)c(=O)nc1SCc1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.81
CYP3A4 P08684 3/20 0.69
CYP2D6 P10635 1/20 0.66

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
SCHEMBL4418660 0.93 PLA2G7 (0.82) PLA2G7CYP3A4
SCHEMBL3541401 0.91 PLA2G7 (0.79) PLA2G7CYP3A4CYP2D6
SCHEMBL4412352 0.89 PLA2G7 (0.84) PLA2G7CYP3A4
SCHEMBL4415555 0.89 PLA2G7 (1.00) PLA2G7CYP3A4CYP2D6
SCHEMBL11932750 0.88 PLA2G7 (0.78) PLA2G7CYP3A4CYP2D6
SCHEMBL4416249 0.88 PLA2G7 (1.00) PLA2G7
SCHEMBL4425623 0.87 PLA2G7 (1.00) PLA2G7
SCHEMBL5867479 0.86 PLA2G7 (0.85) PLA2G7CYP3A4
SCHEMBL11938958 0.85 PLA2G7 (0.80) PLA2G7CYP3A4CYP2D6
Cadaverine Tartrate SCHEMBL4418837 0.85 PLA2G7 (0.80) PLA2G7CYP3A4CYP2D6

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-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed