SCHEMBL6607142

SCHEMBL6607142

CCC(Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)Nc1ncccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 6/20 0.39
AGTR1 P30556 2/20 0.37
AGTR2 P50052 2/20 0.37
BDKRB1 P46663 1/20 0.36

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
SCHEMBL6607401 0.92 BDKRB1 (0.34) BRS3BDKRB1
SCHEMBL6607743 0.90 HTT (0.41) AGTR1AGTR2BDKRB1
SCHEMBL6606968 0.86 AGTR1 (0.47) BRS3AGTR1AGTR2
SCHEMBL8944173 0.86 KDM4E (0.40) AGTR1AGTR2
SCHEMBL8548756 0.85 AGTR1 (0.37) BRS3AGTR1AGTR2
SCHEMBL6605990 0.84 BRS3 (0.39) BRS3AGTR1AGTR2BDKRB1
SCHEMBL8552543 0.81 AGTR1 (0.38) BRS3AGTR1AGTR2
SCHEMBL6610731 0.79 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL6605204 0.78 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL6607508 0.77 AGTR1 (0.46) BRS3AGTR1AGTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829479-B1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-04-14 EP disclosed
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