SCHEMBL7197072

SCHEMBL7197072

COc1ccccc1Oc1c(Cl)nc(C(F)(F)F)nc1NS(=O)(=O)c1ccc(C(C)C)cn1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.61
EDNRB P24530 19/20 0.60

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
SCHEMBL6785297 0.88 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7972781 0.86 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7197091 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7849260 0.85 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6782354 0.85 EDNRA (0.72) EDNRAEDNRB
SCHEMBL5208403 0.84 EDNRA (0.82) EDNRAEDNRB
SCHEMBL5496601 0.83 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7198214 0.83 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6783690 0.83 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7198606 0.83 EDNRA (0.66) 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