SCHEMBL8017465

SCHEMBL8017465

CC(CC(=O)CNC(=O)CN)C[C@H](N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
SLC1A3 P43003 5/20 0.40
SLC1A2 P43004 5/20 0.40
SLC1A1 P43005 4/20 0.40
GRIK1 P39086 7/20 0.36
GRIK2 Q13002 4/20 0.36
GRIA2 P42262 2/20 0.36
GRIA4 P48058 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIK5 Q16478 2/20 0.36
GRIA1 P42261 1/20 0.36
GRM1 Q13255 1/20 0.33
GRM2 Q14416 1/20 0.33
BHMT Q93088 1/20 0.33

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
SCHEMBL483884 0.87 GRIK1 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL9074201 0.84 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL29148903 0.81 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL2474141 0.81 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Leucine SCHEMBL9419205 0.78 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL11032021 0.74 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL23421926 0.73 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL6447117 0.72 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL874270 0.70 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL21447999 0.70 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1

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-2000068695-A2 REAGENT AND PROCESS FOR PEPTIDE/PROTEIN DIFFERENTIATION USING CIRCULAR DICHROISM DETECTION UNIV OKLAHOMA STATE (US) 2000-11-16 WO disclosed