SCHEMBL8323181

SCHEMBL8323181

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOC(=O)N(CC(N)=O)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.68
EDNRB P24530 1/20 0.68

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
SCHEMBL8326202 0.85 EDNRB (0.74) EDNRAEDNRB
SCHEMBL8323184 0.84 EDNRB (0.68) EDNRAEDNRB
SCHEMBL8319563 0.84 EDNRB (0.74) EDNRAEDNRB
SCHEMBL8326954 0.82 EDNRB (0.74) EDNRAEDNRB
Benzamide SCHEMBL7585785 0.82 EDNRA (0.85) EDNRAEDNRB
SCHEMBL30057758 0.81 EDNRA (1.00) EDNRAEDNRB
SCHEMBL2678965 0.81 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8328452 0.81 EDNRB (0.70) EDNRAEDNRB
SCHEMBL8328448 0.81 EDNRB (0.70) EDNRAEDNRB
SCHEMBL8326190 0.81 EDNRB (0.79) 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