SCHEMBL7450205

SCHEMBL7450205

CCCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(OC)cc(OC)c1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.85
EDNRA P25101 20/20 0.85

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
SCHEMBL7444230 0.96 EDNRB (0.90) EDNRBEDNRA
SCHEMBL7451079 0.92 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8860870 0.89 EDNRB (0.82) EDNRBEDNRA
SCHEMBL7446711 0.86 EDNRB (0.90) EDNRBEDNRA
SCHEMBL7437354 0.83 EDNRB (0.89) EDNRBEDNRA
SCHEMBL7450437 0.83 EDNRB (1.00) EDNRBEDNRA
SCHEMBL27508609 0.83 EDNRB (0.85) EDNRBEDNRA
SCHEMBL7450477 0.83 EDNRB (0.85) EDNRBEDNRA
SCHEMBL7450209 0.83 EDNRB (0.59) EDNRBEDNRA
SCHEMBL7446500 0.82 EDNRB (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP claimed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO claimed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO disclosed