SCHEMBL1385772

SCHEMBL1385772

COc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(N2CCOCC2)nc1OCCOc1ncc(C(F)(F)F)cn1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.62
EDNRA P25101 17/20 0.62

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
SCHEMBL1383888 0.91 EDNRB (0.74) EDNRBEDNRA
SCHEMBL7699764 0.83 EDNRB (0.61) EDNRBEDNRA
SCHEMBL7699763 0.83 EDNRB (0.61) EDNRBEDNRA
SCHEMBL5764890 0.81 EDNRB (0.54) EDNRBEDNRA
SCHEMBL7701542 0.81 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7694089 0.81 EDNRB (0.72) EDNRBEDNRA
SCHEMBL7694086 0.81 EDNRB (0.72) EDNRBEDNRA
SCHEMBL7696657 0.81 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7696038 0.81 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7696041 0.81 EDNRB (0.64) 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
JP-4832706-B2 2011-12-07 JP claimed
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 EP claimed