SCHEMBL7018026

SCHEMBL7018026

Cc1cc(C)c2nc(C)n(Cc3ccc(-c4ccccc4-c4nc(=S)s[nH]4)cc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.50
AGTR1 P30556 4/20 0.50
GPR4 P46093 1/20 0.42

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
SCHEMBL7018103 0.90 AGTR2 (0.64) AGTR2AGTR1GPR4
SCHEMBL7020857 0.88 AGTR2 (0.49) AGTR2AGTR1GPR4
SCHEMBL7016291 0.87 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL7014060 0.79 AGTR2 (0.64) AGTR2AGTR1GPR4
SCHEMBL7011843 0.79 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL7019061 0.77 AGTR1 (0.65) AGTR2AGTR1
SCHEMBL7018166 0.77 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL7019312 0.77 AGTR1 (0.51) AGTR2AGTR1
SCHEMBL7010569 0.76 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL7017065 0.76 AGTR1 (0.66) AGTR2AGTR1

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 5 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
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 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