SCHEMBL7993533

SCHEMBL7993533

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCCN1CCNC1=O

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.76
EDNRA P25101 20/20 0.76

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
SCHEMBL6582937 0.88 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7201192 0.88 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7990164 0.87 EDNRA (0.72) EDNRBEDNRA
SCHEMBL7201826 0.86 EDNRB (0.90) EDNRBEDNRA
SCHEMBL7197689 0.86 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6780465 0.85 EDNRB (0.89) EDNRBEDNRA
SCHEMBL7194649 0.85 EDNRB (1.00) EDNRBEDNRA
SCHEMBL5999010 0.84 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6785719 0.84 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7991644 0.84 EDNRB (0.78) 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