SCHEMBL8548646

SCHEMBL8548646

CCCN(Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)c1c(C(=O)OCC)cnn1C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.39
AGTR2 P50052 18/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8552550 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL6605207 0.85 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL6610737 0.83 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL6608525 0.82 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8552171 0.80 MAP2K1 (0.40) AGTR1AGTR2ALDH1A1
SCHEMBL9296520 0.80 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL6606740 0.80 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL6608938 0.79 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8944455 0.79 AGTR1 (0.43) AGTR1AGTR2ALDH1A1
SCHEMBL8548644 0.77 ALDH1A1 (0.36) AGTR1AGTR2ALDH1A1

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