SCHEMBL7016027

SCHEMBL7016027

CCOc1nc2c(C)sc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2noc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.42
AGTR2 P50052 3/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRB3 P13945 1/20 0.42
ADRA2B P18089 1/20 0.42
SLC6A2 P23975 1/20 0.42
TBXAS1 P24557 1/20 0.42
HTR2C P28335 1/20 0.42
PPARG P37231 1/20 0.42
HTR2B P41595 1/20 0.42
PDE3A Q14432 1/20 0.42
LTB4R2 Q9NPC1 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
SCHEMBL7012900 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9032771 0.81 PPARG (0.43) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL7018829 0.81 AGTR2 (0.44) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9032855 0.80 AGTR1 (0.45) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL684052 0.77 AGTR2 (0.60) AGTR1AGTR2PPARG
SCHEMBL9032562 0.75 PPARG (0.44) AGTR1AGTR2PPARG
SCHEMBL684048 0.74 AGTR2 (0.57) AGTR1AGTR2PPARG
SCHEMBL9030859 0.74 AGTR1 (0.40) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL7016745 0.73 PPARG (0.37) AGTR1AGTR2PPARG
SCHEMBL9033453 0.73 PPARG (0.43) AGTR1AGTR2PPARG

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 6 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-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 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