SCHEMBL6582937

SCHEMBL6582937

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCCO

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
SCHEMBL7201192 0.93 EDNRB (0.83) EDNRBEDNRA
SCHEMBL9043801 0.91 EDNRB (0.69) EDNRBEDNRA
SCHEMBL6785719 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7197689 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7201826 0.91 EDNRB (0.90) EDNRBEDNRA
SCHEMBL7852433 0.90 EDNRB (0.82) EDNRBEDNRA
SCHEMBL6780465 0.89 EDNRB (0.89) EDNRBEDNRA
SCHEMBL7194649 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7993533 0.88 EDNRB (0.76) EDNRBEDNRA
SCHEMBL7991644 0.88 EDNRB (0.78) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US claimed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP claimed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP claimed
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP disclosed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US disclosed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP disclosed
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed
WO-1996016963-A1 SULFONAMIDES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-06 WO disclosed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP disclosed