SCHEMBL9302701

SCHEMBL9302701

CCCCc1nc2c(Cc3ccc(-c4ccccc4C(=O)OC(C)(C)C)cc3)ccc(C(=O)OC)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.45
ACHE P22303 2/20 0.45
AGTR1 P30556 3/20 0.44
AGTR2 P50052 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.41
BDKRB1 P46663 1/20 0.39

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 0.89 BRS3 (0.38) BRS3ACHEAGTR1AGTR2BDKRB1
SCHEMBL9304405 0.87 AGTR1 (0.42) BRS3ACHEAGTR1AGTR2LTB4R2
SCHEMBL9302495 0.81 AGTR1 (0.37) BRS3AGTR1AGTR2
SCHEMBL9302908 0.81 AGTR1 (0.37) BRS3AGTR1AGTR2LTB4R2BDKRB1
SCHEMBL9302784 0.77 ALDH1A1 (0.35) BRS3AGTR1AGTR2
SCHEMBL9044849 0.76 BRS3 (0.45) BRS3ACHEAGTR1AGTR2LTB4R2
SCHEMBL9303418 0.75 AGTR1 (0.34) ACHEAGTR1AGTR2LTB4R2
SCHEMBL8802322 0.73 ACHE (0.49) BRS3ACHEAGTR1AGTR2
SCHEMBL9045987 0.72 ACHE (0.42) BRS3ACHEAGTR1AGTR2
Hydrochloric Acid SCHEMBL8992385 0.72 AGTR1 (0.48) BRS3ACHEAGTR1AGTR2LTB4R2

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