SCHEMBL7979092

SCHEMBL7979092

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(OCCN2CCOCC2)nc1OCC1CCCO1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.61
EDNRA P25101 20/20 0.61

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) EDNRBEDNRA
SCHEMBL7996742 0.90 EDNRA (0.62) EDNRBEDNRA
SCHEMBL7990186 0.90 EDNRA (0.61) EDNRBEDNRA
SCHEMBL7979119 0.88 EDNRA (0.60) EDNRBEDNRA
SCHEMBL7997021 0.88 EDNRB (0.75) EDNRBEDNRA
SCHEMBL7993546 0.86 EDNRA (0.61) EDNRBEDNRA
SCHEMBL7990345 0.84 EDNRA (0.60) EDNRBEDNRA
SCHEMBL7997007 0.84 EDNRA (0.60) EDNRBEDNRA
SCHEMBL7991555 0.83 EDNRA (0.73) EDNRBEDNRA
SCHEMBL7991472 0.83 EDNRA (0.61) EDNRBEDNRA

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