SCHEMBL8328654

SCHEMBL8328654

COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2C(C)(C)C)nc(N2CCOCC2)nc1OCCOC(=O)Nc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.67
EDNRA P25101 19/20 0.67

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
SCHEMBL8328184 0.93 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8323034 0.89 EDNRB (0.82) EDNRBEDNRA
SCHEMBL7696041 0.85 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7696038 0.85 EDNRB (0.64) EDNRBEDNRA
SCHEMBL6785547 0.80 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7699764 0.79 EDNRB (0.61) EDNRBEDNRA
SCHEMBL7699763 0.79 EDNRB (0.61) EDNRBEDNRA
SCHEMBL7851485 0.78 EDNRB (0.79) EDNRBEDNRA
SCHEMBL8327602 0.78 EDNRA (0.83) EDNRBEDNRA
SCHEMBL7696657 0.78 EDNRB (0.62) EDNRBEDNRA

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