SCHEMBL7010457

SCHEMBL7010457

CCCc1nn2ncc(C(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.43
AGTR2 P50052 6/20 0.43

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
SCHEMBL7018346 0.91 PPARG (0.47) AGTR1AGTR2
SCHEMBL7021255 0.85 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL7013213 0.84 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7017164 0.80 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7014756 0.80 PPARG (0.50) AGTR1AGTR2
SCHEMBL7013722 0.77 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL7008117 0.76 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7011145 0.75 PPARG (0.51)
SCHEMBL7008748 0.75 PPARG (0.45) AGTR1AGTR2
SCHEMBL7012808 0.74 PPARG (0.46) AGTR1AGTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
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
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed