SCHEMBL8552543

SCHEMBL8552543

CCC(Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)Nc1c(C(=O)O)cnn1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.38
AGTR2 P50052 1/20 0.38
BRS3 P32247 3/20 0.36
LPAR1 Q92633 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34

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
SCHEMBL8548644 0.90 ALDH1A1 (0.36) AGTR1AGTR2
SCHEMBL8548756 0.84 AGTR1 (0.37) AGTR1AGTR2BRS3
SCHEMBL6606968 0.82 AGTR1 (0.47) AGTR1AGTR2BRS3
SCHEMBL6607142 0.81 BRS3 (0.39) AGTR1AGTR2BRS3
SCHEMBL6605204 0.76 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8552550 0.76 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL6607401 0.75 BDKRB1 (0.34) BRS3
SCHEMBL6610731 0.75 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL6607743 0.74 HTT (0.41) AGTR1AGTR2
SCHEMBL6607508 0.73 AGTR1 (0.46) AGTR1AGTR2BRS3

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