SCHEMBL7437288

SCHEMBL7437288

CCOC(=O)C(Cc1ccc(-c2ccno2)cc1)NC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.49
EDNRA P25101 16/20 0.49
TP53 P04637 1/20 0.42
CYP26A1 O43174 1/20 0.42

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
SCHEMBL7361274 1.00 EDNRB (0.49) EDNRBEDNRATP53CYP26A1
SCHEMBL7229480 0.85 TACR1 (0.45) EDNRBEDNRATP53
SCHEMBL7359075 0.82 CYP2C9 (0.42) EDNRBEDNRATP53
SCHEMBL7359080 0.82 CYP2C9 (0.42) EDNRBEDNRATP53
SCHEMBL7366662 0.79 EDNRB (0.60) EDNRBEDNRA
SCHEMBL7357423 0.79 EDNRB (0.60) EDNRBEDNRA
SCHEMBL7445315 0.79 EDNRB (0.60) EDNRBEDNRA
SCHEMBL13065887 0.77 EDNRB (0.75) EDNRBEDNRA
SCHEMBL7445181 0.76 TPH1 (0.47) EDNRBEDNRA
SCHEMBL7360008 0.76 TPH1 (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977075-A N-aroylamino acid amides as endothelin inhibitors NOVARTIS AG (CH) 1999-11-02 US disclosed
EP-0821670-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS Novartis AG (CH) 1998-02-04 EP disclosed
CN-1145075-A Antagonist's of endothelin receptors JAPAT LTD (CH) 1997-03-12 CN disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO disclosed