SCHEMBL7849591

SCHEMBL7849591

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)C)cn3)nc(N3CCOCC3)nc2OCCO)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.71
EDNRB P24530 19/20 0.65

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
SCHEMBL7842111 0.90 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7841546 0.89 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7848808 0.88 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7841645 0.88 EDNRA (0.58) EDNRAEDNRB
SCHEMBL6582937 0.88 EDNRB (0.83) EDNRAEDNRB
SCHEMBL7849705 0.87 EDNRB (0.83) EDNRAEDNRB
SCHEMBL7852102 0.86 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7846863 0.84 EDNRA (0.59) EDNRAEDNRB
SCHEMBL6972165 0.82 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7201192 0.81 EDNRB (0.83) 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 7 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-1996016963-A1 SULFONAMIDES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-06 WO claimed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP claimed
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 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