SCHEMBL8326558

SCHEMBL8326558

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(CCC(=O)N4CCOCC4)cc3)ncnc2OCCOC(=O)Nc2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.54
EDNRB P24530 16/20 0.54

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
SCHEMBL8327017 0.93 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8326887 0.93 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8328560 0.90 EDNRA (0.65) EDNRAEDNRB
SCHEMBL8327010 0.90 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8324693 0.88 EDNRA (0.61) EDNRAEDNRB
SCHEMBL9091560 0.86 EDNRA (0.51) EDNRAEDNRB
SCHEMBL8328310 0.86 EDNRA (0.47) EDNRAEDNRB
SCHEMBL8323785 0.86 EDNRA (0.51) EDNRAEDNRB
SCHEMBL8329196 0.85 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8326488 0.85 EDNRA (0.53) 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