SCHEMBL6772985

SCHEMBL6772985

COC(C)OCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.42
EDNRB P24530 4/20 0.42

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
SCHEMBL6777479 0.91 EDNRB (0.44) EDNRAEDNRB
SCHEMBL7956927 0.84 EDNRA (0.43) EDNRAEDNRB
SCHEMBL6640800 0.83 EDNRB (0.41) EDNRAEDNRB
SCHEMBL6772653 0.83 NPSR1 (0.35) EDNRAEDNRB
SCHEMBL4767425 0.83 EDNRB (0.44) EDNRAEDNRB
SCHEMBL6777059 0.80 EDNRA (0.46) EDNRA
SCHEMBL6776271 0.80 EDNRA (0.46) EDNRA
SCHEMBL6772980 0.80 EDNRB (0.41) EDNRAEDNRB
SCHEMBL6771346 0.79 EDNRB (0.43) EDNRAEDNRB
SCHEMBL9087795 0.79 EDNRA (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed