SCHEMBL5707302

SCHEMBL5707302

COCCOC(=O)CC(C)C[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
SLC1A1 P43005 6/20 0.41
SLC1A3 P43003 5/20 0.41
SLC1A2 P43004 5/20 0.41
GRIK1 P39086 7/20 0.37
GRIK2 Q13002 4/20 0.37
GRIA2 P42262 2/20 0.37
GRIA4 P48058 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK5 Q16478 2/20 0.37
GRIA1 P42261 1/20 0.37
DDAH1 O94760 1/20 0.36
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL2455906 0.83 SLC1A2 (0.46) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL6824845 0.83 SLC1A2 (0.46) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
Water SCHEMBL4794963 0.81 SLC1A2 (0.45) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL9449386 0.81 SLC1A1 (0.54) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL7359265 0.81 SLC1A1 (0.54) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL14423585 0.77 SLC7A5 (0.56) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL15383208 0.77 TSHR (0.37)
SCHEMBL2402182 0.76 GRIK1 (0.44) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL22115798 0.75 ALDH1A1 (0.38)
SCHEMBL17664953 0.75 DDAH1 (0.49) SLC1A1SLC1A3SLC1A2GRIK1GRIK2

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-1692098-A1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2006-08-23 EP disclosed
WO-2005056519-A1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 WO disclosed