SCHEMBL7202225

SCHEMBL7202225

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCCNS(=O)(=O)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 1.00
EDNRA P25101 20/20 1.00

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
SCHEMBL7200340 0.92 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7201826 0.90 EDNRB (0.90) EDNRBEDNRA
SCHEMBL7197689 0.90 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7196838 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7194649 0.88 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6582937 0.87 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7201192 0.87 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7200379 0.87 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7193647 0.86 EDNRB (0.96) EDNRBEDNRA
SCHEMBL7199022 0.86 EDNRB (0.80) 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
US-6596719-B1 Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the ACTELIO PHARMACEUTICALS LTD. (CH) 2003-07-22 US claimed