SCHEMBL7846863

SCHEMBL7846863

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)C)cn3)ncnc2OCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.59
EDNRB P24530 17/20 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
SCHEMBL7852336 0.87 EDNRA (0.51) EDNRAEDNRB
SCHEMBL6972165 0.85 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7849591 0.84 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6963227 0.83 EDNRA (0.58) EDNRAEDNRB
SCHEMBL8325627 0.83 EDNRA (0.57) EDNRAEDNRB
SCHEMBL8329894 0.81 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7569422 0.81 EDNRA (0.47) EDNRAEDNRB
SCHEMBL7567579 0.81 EDNRA (0.47) EDNRAEDNRB
SCHEMBL6974941 0.80 EDNRA (0.64) EDNRAEDNRB
SCHEMBL8321011 0.80 EDNRA (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP 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
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP disclosed