SCHEMBL8327602

SCHEMBL8327602

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)nc1OCCOC(=O)Nc1ccco1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.83
EDNRB P24530 17/20 0.83

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
SCHEMBL8323789 0.90 EDNRA (0.80) EDNRAEDNRB
SCHEMBL8326900 0.86 EDNRA (0.82) EDNRAEDNRB
SCHEMBL9090978 0.86 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7205231 0.85 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7206619 0.85 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7204657 0.85 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7205085 0.84 EDNRA (0.73) EDNRAEDNRB
SCHEMBL6785015 0.83 EDNRB (0.80) EDNRAEDNRB
SCHEMBL7206055 0.83 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7206824 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP claimed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed