SCHEMBL8326904

SCHEMBL8326904

COc1ccccc1Oc1c(OCCO)nc(N2CCOCC2)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.48
EDNRB P24530 17/20 0.48

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
SCHEMBL8325013 0.86 EDNRB (0.43) EDNRAEDNRB
SCHEMBL27424258 0.86 EDNRB (0.48) EDNRAEDNRB
SCHEMBL7327055 0.83 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7330749 0.83 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7333240 0.82 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7329858 0.82 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7332438 0.81 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7328712 0.80 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7327165 0.80 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7331793 0.79 EDNRA (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed