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SCHEMBL7445309

SCHEMBL7445309

Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccno3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NS(=O)(=O)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 20/20 0.91
▸ EDNRA P25101 20/20 0.91

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
SCHEMBL7441172 0.95 EDNRB (1.00) EDNRBEDNRA
SCHEMBL27469985 0.95 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7435819 0.93 EDNRB (0.84) EDNRBEDNRA
SCHEMBL7437695 0.90 EDNRB (0.86) EDNRBEDNRA
SCHEMBL7438674 0.90 EDNRB (0.85) EDNRBEDNRA
SCHEMBL7502869 0.90 EDNRB (0.85) EDNRBEDNRA
SCHEMBL27454121 0.89 EDNRB (0.84) EDNRBEDNRA
SCHEMBL7442253 0.89 EDNRB (0.84) EDNRBEDNRA
SCHEMBL7439514 0.89 EDNRB (0.85) EDNRBEDNRA
SCHEMBL7450437 0.88 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 3 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
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 — — WO disclosed