SCHEMBL6771633

SCHEMBL6771633

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1cccc(CC(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.44
EDNRB P24530 1/20 0.44

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
SCHEMBL6771197 0.91 EDNRB (0.54) EDNRAEDNRB
SCHEMBL6766283 0.88 EDNRA (0.57) EDNRA
SCHEMBL6776269 0.88 EDNRA (0.45) EDNRA
SCHEMBL6777056 0.88 EDNRA (0.45) EDNRA
SCHEMBL8060278 0.86 EDNRA (0.44) EDNRA
SCHEMBL8060127 0.86 EDNRA (0.44) EDNRAEDNRB
SCHEMBL9089410 0.85 EDNRB (0.44) EDNRAEDNRB
SCHEMBL9087795 0.84 EDNRA (0.40) EDNRAEDNRB
SCHEMBL8044523 0.84 EDNRB (0.45) EDNRAEDNRB
SCHEMBL9089380 0.84 EDNRB (0.45) 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