SCHEMBL4695565

SCHEMBL4695565

O=C(O)[C@@H]1c2c(cnn2C(=O)Nc2ccccc2)[C@@H]2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.35
DGAT1 O75907 1/20 0.33
FAAH O00519 4/20 0.33
NAMPT P43490 1/20 0.32
FKBP1A P62942 1/20 0.32
KCNA5 P22460 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4695568 1.00 GRIN2B (0.35) GRIN2BDGAT1FAAHNAMPTFKBP1A
SCHEMBL4695570 1.00 GRIN2B (0.35) GRIN2BDGAT1FAAHNAMPTFKBP1A
SCHEMBL4155704 0.92 ALDH1A1 (0.35) GRIN2BDGAT1FAAHFKBP1AKCNA5
SCHEMBL4155710 0.92 ALDH1A1 (0.35) GRIN2BDGAT1FAAHFKBP1AKCNA5
SCHEMBL4155701 0.92 ALDH1A1 (0.35) GRIN2BDGAT1FAAHFKBP1AKCNA5
SCHEMBL4696891 0.87 KCNA5 (0.33) KCNA5
SCHEMBL4696887 0.87 KCNA5 (0.33) KCNA5
SCHEMBL2066952 0.83 KCNA5 (0.36) FKBP1AKCNA5
SCHEMBL20557817 0.83 KCNA5 (0.36) FKBP1AKCNA5
SCHEMBL4142823 0.82 TSHR (0.37) KCNA5KDM4EMAPT

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
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed