SCHEMBL8553680

SCHEMBL8553680

CCC(Cc1ccc(-c2ccccc2-c2nc(=O)s[nH]2)cc1)Nc1nn(C)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.37
AGTR2 P50052 4/20 0.37
BRS3 P32247 2/20 0.35

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
SCHEMBL8551396 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL6605990 0.85 BRS3 (0.39) AGTR1AGTR2BRS3
SCHEMBL8548756 0.85 AGTR1 (0.37) AGTR1AGTR2BRS3
SCHEMBL6608135 0.84 AGTR1 (0.47) AGTR1AGTR2BRS3
SCHEMBL6607829 0.84 BRS3 (0.36) BRS3
SCHEMBL6612732 0.79 BDKRB1 (0.36) AGTR1AGTR2BRS3
SCHEMBL6609722 0.78 HTT (0.41) AGTR1AGTR2
SCHEMBL6606955 0.77 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL6604852 0.77 AGTR2 (0.36) AGTR1AGTR2
SCHEMBL8553682 0.76 LTB4R2 (0.49) 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-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed