SCHEMBL15920575

SCHEMBL15920575

N#Cc1cc(COOC=CCN)ccc1Oc1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.39
AR P10275 2/20 0.36
MAOB P27338 2/20 0.32
AOC3 Q16853 1/20 0.32
MAOA P21397 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
EPAS1 Q99814 2/20 0.31
SCN9A Q15858 1/20 0.31
PLA2G7 Q13093 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
SCHEMBL15920581 0.79 CCR5 (0.36) MAOBAOC3MAOA
SCHEMBL15920452 0.78 CYP11B1 (0.36) SLC22A12AREPAS1SCN9APLA2G7
SCHEMBL9900995 0.75 AR (0.55) SLC22A12ARCNR1CNR2PLA2G7
SCHEMBL14656148 0.69 AR (0.56) SLC22A12ARPLA2G7
SCHEMBL15920451 0.68 PLA2G7 (0.33) PLA2G7
SCHEMBL14663528 0.68 AR (0.55) SLC22A12ARMAOBMAOAEPAS1
SCHEMBL14656177 0.68 SLC22A12 (0.48) SLC22A12AREPAS1PLA2G7
SCHEMBL523187 0.67 CYP19A1 (0.53) SLC22A12ARMAOBMAOACNR1
SCHEMBL15262648 0.67 CNR1 (0.45) SLC22A12CNR1CNR2PLA2G7
SCHEMBL9904993 0.66 SLC22A12 (0.41) SLC22A12CNR1CNR2PLA2G7

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
WO-2014114694-A1 2,3-DIHYDROIMIDAZOL[1,2-C]PYRIMIDIN-5(1H)-ONE BASED LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 (LP-PLA2) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 WO disclosed