Sugi Predict

Sugi Predict / Compounds / SCHEMBL7445306

SCHEMBL7445306

SCHEMBL7445306

CCCCS(=O)(=O)N(C(=O)[C@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1)[C@H](C(N)=O)[C@@H](C)CC

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 20/20 0.68
▸ EDNRA P25101 20/20 0.68

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
SCHEMBL29551210 0.94 EDNRB (0.67) EDNRBEDNRA
SCHEMBL7359213 0.94 EDNRB (0.67) EDNRBEDNRA
SCHEMBL7445789 0.92 EDNRB (0.65) EDNRBEDNRA
SCHEMBL7444595 0.89 EDNRB (0.58) EDNRBEDNRA
SCHEMBL7433861 0.89 EDNRB (0.66) EDNRBEDNRA
SCHEMBL7434550 0.88 EDNRB (0.59) EDNRBEDNRA
SCHEMBL7442871 0.86 EDNRB (0.58) EDNRBEDNRA
SCHEMBL7446238 0.85 EDNRB (0.68) EDNRBEDNRA
SCHEMBL7445499 0.84 EDNRB (0.56) EDNRBEDNRA
SCHEMBL7450549 0.81 EDNRB (0.69) 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