SCHEMBL7849705

SCHEMBL7849705

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)C)cn3)nc(N3CCOCC3)nc2OCCOC(=O)Nc2ccccn2)c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.83
EDNRA P25101 20/20 0.83

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
SCHEMBL7850710 0.92 EDNRB (0.70) EDNRBEDNRA
SCHEMBL7841720 0.91 EDNRB (0.68) EDNRBEDNRA
SCHEMBL5999010 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7849591 0.87 EDNRA (0.71) EDNRBEDNRA
SCHEMBL9092573 0.86 EDNRA (0.82) EDNRBEDNRA
SCHEMBL9091529 0.85 EDNRA (0.66) EDNRBEDNRA
SCHEMBL6784914 0.84 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7575482 0.83 EDNRB (0.73) EDNRBEDNRA
SCHEMBL7852965 0.83 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7842111 0.82 EDNRA (0.61) 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-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed