SCHEMBL7019801

SCHEMBL7019801

CCOC(=O)ONC(=N)c1ccccc1-c1ccc(CNc2c(N)cccc2C(=O)OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3976380 0.85 SLC6A3 (0.52) BDKRB1LTB4R2SLC6A3SLC6A4ALDH1A1
SCHEMBL7012588 0.82 BDKRB1 (0.47) BDKRB1LTB4R2SLC6A3SLC6A4ALDH1A1
SCHEMBL28051608 0.81 ALDH1A1 (0.49) BDKRB1LTB4R2AGTR1AGTR2ALDH1A1
SCHEMBL7019803 0.80 LTB4R2 (0.41) LTB4R2SLC6A3SLC6A4PDCD1CD274
SCHEMBL28451153 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10
SCHEMBL2927336 0.77 BDKRB1 (0.49) BDKRB1SLC6A3SLC6A4ALDH1A1HSD17B10
SCHEMBL3982628 0.76 ALDH1A1 (0.48) BDKRB1AGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL30660078 0.76 ALDH1A1 (0.48) BDKRB1AGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL12189741 0.74 BDKRB1 (0.43) BDKRB1SLC6A3SLC6A4AGTR1AGTR2
SCHEMBL6849993 0.74 CYP1A2 (0.43) BDKRB1AGTR1AGTR2ALDH1A1HSD17B10

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