SCHEMBL4769447

SCHEMBL4769447

CCCCCC(=O)N(C)[C@H](C(=O)NCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.57
EDNRB P24530 3/20 0.57
AGTR1 P30556 1/20 0.51

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
SCHEMBL4769412 0.98 EDNRA (0.57) EDNRAEDNRBAGTR1
SCHEMBL4766190 0.95 EDNRA (0.59) EDNRAEDNRB
SCHEMBL4793393 0.94 EDNRA (0.55) EDNRAEDNRBAGTR1
SCHEMBL4776135 0.92 EDNRB (0.60) EDNRAEDNRB
SCHEMBL5521701 0.91 EDNRA (0.57) EDNRAEDNRBAGTR1
SCHEMBL4767169 0.91 EDNRB (0.57) EDNRAEDNRB
SCHEMBL4764814 0.90 EDNRB (0.64) EDNRAEDNRB
SCHEMBL4792865 0.90 EDNRA (0.57) EDNRAEDNRBAGTR1
SCHEMBL6940694 0.90 EDNRA (0.55) EDNRAEDNRBAGTR1
SCHEMBL4771034 0.90 EDNRA (0.57) EDNRAEDNRB

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-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP claimed
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed
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
US-6638937-B2 As antihypertensive agents; for therapy of disorders related to renal, glomerular and mesangial cell function; therapy of endotoxemia or endotoxin shock as well as hemorrhagic shock; useful in alleviation of pain associated cancer BRISTOL-MYERS SQUIBB CO. 2003-10-28 US disclosed