SCHEMBL14895368

SCHEMBL14895368

CN(C)C(=O)C(C(N)=O)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
ALOX5 P09917 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14167186 0.92 ALOX5 (0.41) EPHX1ALOX5
SCHEMBL14895039 0.80 EPHX1 (0.54) EPHX1ALOX5
SCHEMBL28527546 0.77 EPHX1 (0.46) EPHX1ALOX5
SCHEMBL5927975 0.75 EPHX1 (0.61) EPHX1
SCHEMBL5927952 0.73 EPHX1 (0.65) EPHX1
SCHEMBL5927948 0.73 EPHX1 (0.65) EPHX1
SCHEMBL29177034 0.72 EPHX1 (0.52) EPHX1ALOX5
SCHEMBL14895043 0.72 EPHX1 (0.42) EPHX1
SCHEMBL5928140 0.70 EPHX1 (0.46) EPHX1ALOX5
Hydrochloric Acid SCHEMBL3213524 0.69 DPP4 (0.42) EPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP disclosed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO disclosed