SCHEMBL9302908

SCHEMBL9302908

CCCCc1nc2c(Cc3ccc(-c4ccccc4NCC(=O)OCC)cc3)ccc(C(=O)OC)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.37
AGTR2 P50052 3/20 0.37
BDKRB1 P46663 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
BRS3 P32247 1/20 0.35

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
SCHEMBL9303312 0.83 BRS3 (0.38) AGTR1AGTR2BDKRB1BRS3
SCHEMBL9302701 0.81 BRS3 (0.45) AGTR1AGTR2BDKRB1LTB4R2BRS3
SCHEMBL9304405 0.81 AGTR1 (0.42) AGTR1AGTR2BDKRB1LTB4R2BRS3
SCHEMBL9303418 0.80 AGTR1 (0.34) AGTR1AGTR2LTB4R2
SCHEMBL9302495 0.79 AGTR1 (0.37) AGTR1AGTR2BRS3
SCHEMBL9302784 0.74 ALDH1A1 (0.35) AGTR1AGTR2KDM4EALDH1A1BRS3
SCHEMBL8364591 0.73 KDM4E (0.40) AGTR1AGTR2KDM4EALDH1A1
SCHEMBL7014979 0.72 AGTR2 (0.52) AGTR1AGTR2
SCHEMBL9303236 0.71 BRS3 (0.35) AGTR1AGTR2BRS3
SCHEMBL5592930 0.69 BRS3 (0.39) BDKRB1KDM4EALDH1A1LTB4R2BRS3

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