SCHEMBL6609722

SCHEMBL6609722

CCOC(=O)c1cccnc1NC(CC)Cc1ccc(-c2ccccc2-c2nc(=O)s[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
AGTR2 P50052 8/20 0.39
AGTR1 P30556 7/20 0.39
BDKRB1 P46663 8/20 0.38
PPIA P62937 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL6605990 0.90 BRS3 (0.39) AGTR2AGTR1BDKRB1
SCHEMBL6612732 0.89 BDKRB1 (0.36) AGTR2AGTR1BDKRB1
SCHEMBL6606955 0.88 AGTR1 (0.51) AGTR2AGTR1
SCHEMBL8551396 0.86 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL6604852 0.86 AGTR2 (0.36) AGTR2AGTR1
SCHEMBL6607743 0.85 HTT (0.41) HTTAGTR2AGTR1BDKRB1PPIA
SCHEMBL6608135 0.80 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL8553680 0.78 AGTR1 (0.37) AGTR2AGTR1
SCHEMBL9256897 0.77 HTT (0.41) HTTAGTR2AGTR1BDKRB1PPIA
SCHEMBL6607829 0.77 BRS3 (0.36)

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 5 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
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