SCHEMBL6769898

SCHEMBL6769898

CCCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.73
EDNRB P24530 1/20 0.67

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
SCHEMBL6777207 0.93 EDNRA (0.75) EDNRAEDNRB
SCHEMBL6778807 0.92 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6770168 0.89 EDNRA (0.78) EDNRAEDNRB
SCHEMBL6771190 0.88 EDNRA (0.76) EDNRAEDNRB
SCHEMBL6776073 0.88 EDNRA (0.70) EDNRA
SCHEMBL6770777 0.87 EDNRA (0.80) EDNRAEDNRB
SCHEMBL6773347 0.86 EDNRA (0.74) EDNRA
SCHEMBL6768186 0.84 EDNRA (0.70) EDNRAEDNRB
SCHEMBL6767698 0.84 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6777975 0.84 EDNRA (0.79) 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-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US claimed
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
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed