SCHEMBL5497593

SCHEMBL5497593

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2cc(OC)c(OC)c(OC)c2)nc1OCCN

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.79
EDNRB P24530 19/20 0.79

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
SCHEMBL7195290 0.91 EDNRA (0.83) EDNRAEDNRB
SCHEMBL7194709 0.91 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7200221 0.88 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7198515 0.88 EDNRA (0.82) EDNRAEDNRB
SCHEMBL5496601 0.85 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7197091 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7195296 0.84 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7849626 0.84 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7435840 0.83 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7841308 0.83 EDNRA (0.72) 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
EP-1137642-B1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2007-12-05 EP disclosed
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