SCHEMBL7361420

SCHEMBL7361420

Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccno3)cc2)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.62
EDNRA P25101 20/20 0.62

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
SCHEMBL7361423 1.00 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7444997 1.00 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7366662 0.89 EDNRB (0.60) EDNRBEDNRA
SCHEMBL7357423 0.89 EDNRB (0.60) EDNRBEDNRA
SCHEMBL7445315 0.89 EDNRB (0.60) EDNRBEDNRA
SCHEMBL7359820 0.82 EDNRB (0.74) EDNRBEDNRA
SCHEMBL7451078 0.82 ALDH1A1 (0.50) EDNRBEDNRA
SCHEMBL16907004 0.82 ALDH1A1 (0.50) EDNRBEDNRA
SCHEMBL7451075 0.82 ALDH1A1 (0.50) EDNRBEDNRA
SCHEMBL8726261 0.79 SLC7A5 (0.45) 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-1997011960-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1997-04-03 WO disclosed