SCHEMBL7997007

SCHEMBL7997007

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(C#N)nc1OCC1CCCO1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.60
EDNRB P24530 19/20 0.60

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
SCHEMBL7993689 0.91 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7993546 0.89 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7990345 0.89 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7991555 0.88 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7996742 0.88 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7990186 0.88 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7979119 0.86 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7997021 0.86 EDNRB (0.75) EDNRAEDNRB
SCHEMBL7991472 0.86 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7993865 0.85 EDNRA (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed