SCHEMBL7703041

SCHEMBL7703041

N[C@@H](CC(CC#Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 9/20 1.00
GRIK2 Q13002 8/20 1.00
GRM2 Q14416 2/20 0.55
GRM3 Q14832 2/20 0.55
SLC1A1 P43005 2/20 0.55
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
HTR2A P28223 1/20 0.51

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
SCHEMBL7786187 1.00 GRIK1 (1.00) GRIK1GRIK2GRM2GRM3SLC1A1
SCHEMBL7703039 1.00 GRIK1 (1.00) GRIK1GRIK2GRM2GRM3SLC1A1
SCHEMBL7450346 0.85 GRIK1 (0.73) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL23138631 0.85 GRIK1 (0.73) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL23139425 0.76 GRIK1 (0.60) GRIK1GRIK2HTR2A
SCHEMBL23139426 0.73 GRIK1 (0.57) GRIK1GRIK2GRM2GRM3SLC1A1
SCHEMBL7781119 0.73 GRIK1 (1.00) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL24814159 0.72 GRIK1 (0.56) GRIK1GRIK2HTR2A
SCHEMBL29178391 0.72 GRIK1 (0.56) GRIK1GRIK2HTR2A
SCHEMBL133913 0.71 SLC1A1 (1.00) GRIK1GRM2GRM3SLC1A1SLC1A3

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-2002014261-A2 4-SUBSTITUTED D-GLUTAMIC ACID DERIVATIVES FOR USE AS ANTIBIOTIC ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed