SCHEMBL1009939

SCHEMBL1009939

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1OCCOC=O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.54
EDNRB P24530 9/20 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
SCHEMBL7787027 0.85 EDNRA (0.53) EDNRAEDNRB
SCHEMBL1008387 0.85 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7793953 0.85 EDNRA (0.64) EDNRAEDNRB
SCHEMBL2489314 0.85 EDNRA (0.53) EDNRAEDNRB
SCHEMBL1009078 0.84 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8007885 0.84 EDNRA (0.55) EDNRAEDNRB
SCHEMBL10066030 0.82 EDNRA (0.52) EDNRAEDNRB
SCHEMBL2487362 0.82 EDNRA (0.52) EDNRAEDNRB
SCHEMBL2492997 0.81 EDNRA (0.50) EDNRAEDNRB
SCHEMBL2489880 0.81 EDNRA (0.56) 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-2268634-A2 PROCESSES FOR THE PREPARATION OF BOSENTAN AND RELATED COMPOUNDS USING NOVEL INTERMEDIATES Actavis Group PTC EHF (IS) 2011-01-05 EP disclosed
WO-2009112954-A2 PROCESSES FOR THE PREPARATION OF BOSENTAN AND RELATED COMPOUNDS USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2009-09-17 WO disclosed