SCHEMBL6767830

SCHEMBL6767830

COC(C)OCN(c1onc(C)c1C)S(=O)(=O)c1cc(NC(C)=O)ccc1-c1ccc(CC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 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
SCHEMBL6767826 0.89 EDNRB (0.41) EDNRBEDNRA
SCHEMBL6771346 0.86 EDNRB (0.43) EDNRBEDNRA
SCHEMBL6767823 0.85 EDNRB (0.42) EDNRBEDNRA
SCHEMBL6778409 0.82 CA2 (0.35)
SCHEMBL6777479 0.76 EDNRB (0.44) EDNRBEDNRA
SCHEMBL6776271 0.76 EDNRA (0.46) EDNRA
SCHEMBL6777059 0.76 EDNRA (0.46) EDNRA
SCHEMBL6772985 0.75 EDNRA (0.42) EDNRBEDNRA
SCHEMBL6771345 0.74 EDNRB (0.43) EDNRBEDNRA
SCHEMBL6771197 0.72 EDNRB (0.54) EDNRBEDNRA

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