SCHEMBL5035113

SCHEMBL5035113

CCOC(=O)OC(C)OC(=O)c1cc(-c2nc(NS(=O)(=O)c3ccc(C)cn3)c(Oc3ccccc3OC)c(OC)n2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.65
EDNRB P24530 16/20 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
SCHEMBL5036536 0.92 EDNRA (0.68) EDNRAEDNRB
SCHEMBL5035345 0.92 EDNRA (0.72) EDNRAEDNRB
SCHEMBL5035387 0.91 EDNRA (0.71) EDNRAEDNRB
SCHEMBL5035037 0.89 EDNRA (0.61) EDNRAEDNRB
SCHEMBL5036163 0.88 EDNRA (0.77) EDNRAEDNRB
SCHEMBL5039282 0.87 EDNRA (0.72) EDNRAEDNRB
SCHEMBL5041527 0.87 EDNRA (0.69) EDNRAEDNRB
SCHEMBL5035032 0.87 EDNRA (0.69) EDNRAEDNRB
SCHEMBL5036570 0.86 EDNRA (0.65) EDNRAEDNRB
SCHEMBL5032798 0.86 EDNRA (0.69) 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-1149091-B1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1149091-A1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242601-B1 ENDOTHELIN RECEPTORS INHIBITORS SUCH AS 4-(4-METHOXY-5-(2-METHOXY-PHENOXY)-6-(5-METHYL-PYRIDINE-2-SULF ONYLAMINO)-PYRIMIDIN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID USED TO TREAT CARDIOVASCULAR SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2001-06-05 US disclosed
WO-2000042035-A1 4-(HETEROCYCLYLSULFONAMIDO) -5-METHOXY-6- (2-METHOXYPHENOXY) -2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-07-20 WO disclosed