SCHEMBL7194841

SCHEMBL7194841

Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCNS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.73
EDNRB P24530 5/20 0.65

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
SCHEMBL7194846 0.92 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7195269 0.91 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7195275 0.85 EDNRA (0.79) EDNRAEDNRB
SCHEMBL8657467 0.85 EDNRA (0.79) EDNRAEDNRB
SCHEMBL9044621 0.84 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7200249 0.84 EDNRA (0.83) EDNRAEDNRB
SCHEMBL7198215 0.82 EDNRA (0.75) EDNRAEDNRB
SCHEMBL9046585 0.80 EDNRA (0.68) EDNRAEDNRB
SCHEMBL8655641 0.80 EDNRA (0.71) EDNRAEDNRB
SCHEMBL8659501 0.80 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 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