SCHEMBL9302495

SCHEMBL9302495

CCCCc1nc2c(Cc3ccc(-c4ccccc4-c4n[nH]c(=O)o4)cc3)ccc(C(=O)OC)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
BRS3 P32247 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL9302701 0.81 BRS3 (0.45) AGTR1AGTR2BRS3
SCHEMBL9304405 0.81 AGTR1 (0.42) AGTR1AGTR2BRS3
SCHEMBL9302908 0.79 AGTR1 (0.37) AGTR1AGTR2BRS3
SCHEMBL9303312 0.79 BRS3 (0.38) AGTR1AGTR2BRS3
SCHEMBL9302784 0.74 ALDH1A1 (0.35) AGTR1AGTR2BRS3
SCHEMBL8359916 0.73 PPARG (0.39) AGTR1AGTR2
SCHEMBL9303236 0.73 BRS3 (0.35) AGTR1AGTR2BRS3
SCHEMBL9303418 0.73 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL7018129 0.72 AGTR2 (0.56) AGTR1AGTR2
SCHEMBL8907234 0.71 BRS3 (0.43) AGTR1AGTR2BRS3

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
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed