SCHEMBL15540397

SCHEMBL15540397

CCOC(c1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1)c1nc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 6/20 0.48
LTB4R2 Q9NPC1 1/20 0.44
AGTR2 P50052 1/20 0.44

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
SCHEMBL3821755 0.92 AGTR2 (0.45) CMKLR1LTB4R2AGTR2
SCHEMBL789857 0.87 ABCB11 (0.36) CMKLR1LTB4R2AGTR2
SCHEMBL844427 0.84 ABCB11 (0.38) LTB4R2AGTR2
SCHEMBL5746358 0.78 PPARG (0.34) LTB4R2AGTR2
SCHEMBL3638790 0.77 AGTR1 (0.39) LTB4R2AGTR2
SCHEMBL9291479 0.76 PARP1 (0.35) LTB4R2AGTR2
SCHEMBL8836872 0.76 BRS3 (0.33) LTB4R2AGTR2
SCHEMBL4119807 0.75 DHODH (0.44) CMKLR1
Azilsartan SCHEMBL167538 0.73 AGTR2 (0.72) LTB4R2AGTR2
Azilsartan SCHEMBL29687472 0.73 AGTR2 (0.72) LTB4R2AGTR2

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-2013186792-A2 PROCESS FOR THE PREPARATION OF (5-METHYL-2-OXO-L,3-DIOXOI-4-VL)METHVL 2- ETHOXV-L-{[2'-(5-OXO-4,5-DIHVDRO-L,2,4-OXADIAZOL-3-VL)BIPHENYI-4-VL]METHYL}- LH-BENZIMIDAZOLE-7-CARBOXYIATE AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2013-12-19 WO disclosed