SCHEMBL8328310

SCHEMBL8328310

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(OC)c(CCC(=O)N4CCOCC4)c3)ncnc2OCCOC(=O)Nc2ncccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.47
EDNRB P24530 8/20 0.46

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
SCHEMBL8326887 0.94 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8322054 0.90 EDNRA (0.57) EDNRAEDNRB
SCHEMBL8326558 0.86 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8327010 0.85 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8326039 0.85 EDNRA (0.61) EDNRAEDNRB
SCHEMBL9092023 0.84 EDNRA (0.50) EDNRAEDNRB
SCHEMBL8323818 0.83 EDNRA (0.48) EDNRAEDNRB
SCHEMBL8327017 0.83 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8324546 0.83 EDNRA (0.47) EDNRAEDNRB
SCHEMBL8323894 0.82 EDNRA (0.47) 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