SCHEMBL5867320

SCHEMBL5867320

CN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)CCCn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 1.00
CYP3A4 P08684 4/20 0.74

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
SCHEMBL4425607 0.96 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4411628 0.92 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4415740 0.88 PLA2G7 (0.79) PLA2G7CYP3A4
SCHEMBL4552498 0.88 PLA2G7 (1.00) PLA2G7
SCHEMBL5867357 0.88 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4415561 0.87 PLA2G7 (0.85) PLA2G7
SCHEMBL6396197 0.86 PLA2G7 (0.77) PLA2G7
SCHEMBL4425725 0.86 PLA2G7 (0.88) PLA2G7CYP3A4
SCHEMBL4419834 0.85 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4425959 0.85 PLA2G7 (0.86) PLA2G7CYP3A4

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
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed