SCHEMBL5521701

SCHEMBL5521701

CCCCC(=O)N(CC)[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 5/20 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
SCHEMBL5536203 0.95 EDNRA (0.59) EDNRAEDNRB
SCHEMBL6940694 0.94 EDNRA (0.55) EDNRAEDNRBAGTR1
SCHEMBL4769412 0.93 EDNRA (0.57) EDNRAEDNRBAGTR1
SCHEMBL4769585 0.92 EDNRA (0.53) EDNRAEDNRBAGTR1
SCHEMBL6483932 0.92 EDNRA (0.53) EDNRAEDNRBAGTR1
SCHEMBL4769447 0.91 EDNRA (0.57) EDNRAEDNRBAGTR1
SCHEMBL4771908 0.90 EDNRA (0.57) EDNRAEDNRBAGTR1
SCHEMBL5789581 0.89 EDNRA (0.56) EDNRAEDNRBAGTR1
SCHEMBL4792380 0.89 EDNRA (0.49) EDNRAEDNRBAGTR1
SCHEMBL4773576 0.88 EDNRA (0.55) 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 2 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 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