SCHEMBL7197922

SCHEMBL7197922

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OCCNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 1.00
EDNRB P24530 18/20 1.00

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
SCHEMBL7201925 0.93 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7194070 0.92 EDNRA (0.90) EDNRAEDNRB
SCHEMBL7201930 0.90 EDNRA (1.00) EDNRAEDNRB
SCHEMBL25637066 0.89 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7196207 0.89 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7194130 0.88 EDNRA (0.82) EDNRAEDNRB
Avosentan SCHEMBL29379732 0.87 EDNRA (1.00) EDNRAEDNRB
Avosentan SCHEMBL2742679 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7202003 0.87 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7196215 0.86 EDNRA (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596719-B1 Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the ACTELIO PHARMACEUTICALS LTD. (CH) 2003-07-22 US disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed