SCHEMBL7014285

SCHEMBL7014285

CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C#N)c(CO)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.45
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45

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
SCHEMBL7016557 0.89 PPARG (0.58) AGTR1AGTR2
SCHEMBL9194503 0.86 PPARG (0.57)
SCHEMBL9442999 0.85 PPARG (0.50)
SCHEMBL7014291 0.85 AGTR2 (0.52) AGTR1AGTR2
SCHEMBL7008968 0.84 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL7017108 0.84 PPARG (0.65)
SCHEMBL7011288 0.83 AGTR2 (0.58) AGTR1AGTR2
SCHEMBL7013710 0.82 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9637412 0.82 PPARG (0.51)
SCHEMBL9199820 0.82 PPARG (0.57) 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-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 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