SCHEMBL8404045

SCHEMBL8404045

CCC/C=C(/C[C@H](N)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 18/20 1.00
GRIK2 Q13002 8/20 1.00
GRIA4 P48058 3/20 0.58
GRIK3 Q13003 3/20 0.58
GRIK5 Q16478 3/20 0.58
GRIA2 P42262 2/20 0.58
GRIA1 P42261 1/20 0.58
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
GRM1 Q13255 1/20 0.42
GRM2 Q14416 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
SCHEMBL8404044 1.00 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8404046 1.00 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8724517 0.89 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8399796 0.89 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8724519 0.89 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8399799 0.89 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8399788 0.89 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8724521 0.89 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8520059 0.85 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5
SCHEMBL8520057 0.85 GRIK1 (1.00) GRIK1GRIK2GRIA4GRIK3GRIK5

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
US-5990165-A AN UNSATURATED ALPHA-AMINO CARBOXYLIC ACID TO MODIFY NEUROTRANSMISSION BY INTERACTION WITH IONOTROPIC AND MEETABOTROPIC RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; LILLY, S.A. (ES) 1999-11-23 US disclosed
EP-0867430-A2 Glutamic acid derivatives and pharmaceutical compositions for the treatment of central nervous system disorders LILLY S.A. (ES) 1998-09-30 EP disclosed