SCHEMBL8550854

SCHEMBL8550854

CCCCCN(Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)c1sccc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 3/20 0.42
AGTR1 P30556 12/20 0.41
AGTR2 P50052 12/20 0.41
LTB4R2 Q9NPC1 2/20 0.40
CXCR4 P61073 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
SCHEMBL8549174 0.91 AGTR1 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL8550853 0.87 LTB4R2 (0.53) AGTR1LTB4R2
SCHEMBL8547981 0.86 AGTR1 (0.42) CMKLR1AGTR1AGTR2LTB4R2
SCHEMBL8552364 0.79 LTB4R2 (0.44) CMKLR1AGTR1AGTR2LTB4R2
SCHEMBL8944295 0.79 AGTR1 (0.38) CMKLR1AGTR1AGTR2LTB4R2
SCHEMBL8549173 0.77 LTB4R2 (0.53) AGTR1LTB4R2
SCHEMBL8550200 0.77 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL6608938 0.75 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8550972 0.74 LTB4R2 (0.45) CMKLR1AGTR1AGTR2LTB4R2
SCHEMBL8550850 0.74 KDM4E (0.39) 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