SCHEMBL7196832

SCHEMBL7196832

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OCCCNS(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.78
EDNRB P24530 19/20 0.75

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
SCHEMBL7198515 0.90 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7195290 0.89 EDNRA (0.83) EDNRAEDNRB
SCHEMBL7194070 0.89 EDNRA (0.90) EDNRAEDNRB
SCHEMBL5204847 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7199326 0.86 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7972658 0.85 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7993557 0.85 EDNRA (0.76) EDNRAEDNRB
SCHEMBL6790842 0.85 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7991425 0.85 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7195287 0.84 EDNRA (0.73) 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