SCHEMBL5527486

SCHEMBL5527486

CCCC(=O)N(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)cc1)[C@H](C(=O)Nc1cccnc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.41
EDNRB P24530 4/20 0.41
AGTR1 P30556 4/20 0.38
ABCB11 O95342 1/20 0.37
GP6 Q9HCN6 1/20 0.37
LTB4R2 Q9NPC1 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
SCHEMBL4774354 0.89 EDNRA (0.44) EDNRAEDNRBAGTR1ABCB11GP6
SCHEMBL5789921 0.87 EDNRA (0.44) EDNRAEDNRBAGTR1ABCB11GP6
SCHEMBL5532211 0.87 EDNRA (0.44) EDNRAEDNRBAGTR1ABCB11GP6
SCHEMBL4773395 0.85 AGTR1 (0.47) EDNRAEDNRBAGTR1ABCB11GP6
SCHEMBL4764949 0.85 EDNRA (0.45) EDNRAEDNRBAGTR1ABCB11GP6
SCHEMBL4764477 0.85 AGTR1 (0.45) EDNRAEDNRBAGTR1ABCB11GP6
SCHEMBL4770992 0.84 EDNRA (0.43) EDNRAEDNRB
SCHEMBL4770983 0.84 EDNRA (0.43) EDNRAEDNRB
SCHEMBL5534068 0.84 AGTR1 (0.41) EDNRAEDNRBAGTR1ABCB11GP6
SCHEMBL5520706 0.84 EDNRA (0.42) EDNRAEDNRBAGTR1ABCB11GP6

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 3 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