SCHEMBL8322016

SCHEMBL8322016

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc3c(c2)OCO3)nc(-c2ccccc2)nc1OCCOC(=O)Nc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.67
EDNRB P24530 18/20 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
SCHEMBL9091162 0.96 EDNRA (0.67) EDNRAEDNRB
SCHEMBL8326608 0.95 EDNRA (0.64) EDNRAEDNRB
SCHEMBL9092020 0.95 EDNRA (0.65) EDNRAEDNRB
SCHEMBL9092164 0.94 EDNRA (0.63) EDNRAEDNRB
SCHEMBL9091228 0.93 EDNRA (0.67) EDNRAEDNRB
SCHEMBL9091370 0.93 EDNRA (0.56) EDNRAEDNRB
SCHEMBL9091175 0.90 EDNRB (0.62) EDNRAEDNRB
SCHEMBL9091048 0.88 EDNRA (0.55) EDNRAEDNRB
SCHEMBL6966678 0.88 EDNRB (0.57) EDNRAEDNRB
SCHEMBL9091296 0.87 EDNRB (0.70) 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