SCHEMBL5534071

SCHEMBL5534071

CCCC(=O)[N+](CCOC)(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)cc1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.39
EDNRB P24530 2/20 0.39
AGTR1 P30556 3/20 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
SCHEMBL5532213 0.91 EDNRA (0.42) EDNRAEDNRBAGTR1
SCHEMBL4764397 0.89 EDNRA (0.41) EDNRAEDNRBAGTR1
SCHEMBL7551499 0.89 EDNRA (0.53) EDNRAEDNRBAGTR1
SCHEMBL4771289 0.88 EDNRA (0.41) EDNRAEDNRBAGTR1
SCHEMBL4771862 0.87 EDNRA (0.41) EDNRAEDNRBAGTR1
SCHEMBL4774360 0.86 EDNRA (0.42) EDNRAEDNRBAGTR1
SCHEMBL5789923 0.86 EDNRA (0.42) EDNRAEDNRBAGTR1
SCHEMBL4774073 0.85 EDNRA (0.40) EDNRAEDNRBAGTR1
SCHEMBL4776125 0.83 EDNRA (0.39) EDNRAEDNRBAGTR1
SCHEMBL4770986 0.82 EDNRA (0.41) EDNRAEDNRBAGTR1

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-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP claimed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO claimed
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
EP-1237888-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed