SCHEMBL5529176

SCHEMBL5529176

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

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.42
EDNRB P24530 3/20 0.42
AGTR1 P30556 2/20 0.41

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
SCHEMBL4774360 0.92 EDNRA (0.42) EDNRAEDNRBAGTR1
SCHEMBL4770986 0.89 EDNRA (0.41) EDNRAEDNRBAGTR1
SCHEMBL4767662 0.89 EDNRA (0.43) EDNRAEDNRBAGTR1
SCHEMBL4773398 0.87 EDNRA (0.41) EDNRAEDNRBAGTR1
SCHEMBL4764479 0.86 EDNRA (0.43) EDNRAEDNRBAGTR1
SCHEMBL4764952 0.86 EDNRA (0.42) EDNRAEDNRB
SCHEMBL4769169 0.85 EDNRA (0.43) EDNRAEDNRBAGTR1
SCHEMBL5532213 0.85 EDNRA (0.42) EDNRAEDNRBAGTR1
SCHEMBL5789923 0.85 EDNRA (0.42) EDNRAEDNRBAGTR1
SCHEMBL4769634 0.84 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-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP claimed
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-1237888-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed