SCHEMBL9303418

SCHEMBL9303418

CCCCc1nc2c(Cc3ccc(-c4ccccc4N(CC(=O)OCC)C(=O)NC(=O)CCl)cc3)ccc(C(=O)OC)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.34
AGTR2 P50052 3/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ACHE P22303 1/20 0.32

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
SCHEMBL9302908 0.80 AGTR1 (0.37) AGTR1AGTR2LTB4R2
SCHEMBL7017939 0.76 AGTR2 (0.45) AGTR1AGTR2
SCHEMBL9302701 0.75 BRS3 (0.45) AGTR1AGTR2LTB4R2ACHE
SCHEMBL9304405 0.75 AGTR1 (0.42) AGTR1AGTR2LTB4R2ACHE
SCHEMBL9303312 0.73 BRS3 (0.38) AGTR1AGTR2ACHE
SCHEMBL9302495 0.73 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9302784 0.69 ALDH1A1 (0.35) AGTR1AGTR2
SCHEMBL9303236 0.65 BRS3 (0.35) AGTR1AGTR2
SCHEMBL9303359 0.64 HPGD (0.39) AGTR1AGTR2
SCHEMBL5592930 0.64 BRS3 (0.39) LTB4R2

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