SCHEMBL7841546

SCHEMBL7841546

COc1ccc(Cl)c(Oc2c(Cl)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)C)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.59
EDNRB P24530 18/20 0.59

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
SCHEMBL7848808 0.93 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7852102 0.91 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7842111 0.91 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7841645 0.91 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7849591 0.89 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6583838 0.88 EDNRA (0.75) EDNRAEDNRB
SCHEMBL7841648 0.84 EDNRA (0.44) EDNRAEDNRB
SCHEMBL7841720 0.82 EDNRB (0.68) EDNRAEDNRB
SCHEMBL7852336 0.82 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7849705 0.82 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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