SCHEMBL187449

SCHEMBL187449

N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 1.00
GRM3 Q14832 2/20 1.00
SLC1A1 P43005 5/20 0.64
SLC1A2 P43004 4/20 0.64
SLC1A3 P43003 3/20 0.64
GRIK1 P39086 5/20 0.57
GRIK2 Q13002 4/20 0.55

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
SCHEMBL5664872 1.00 GRM2 (1.00) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL5282418 0.88 GRM2 (0.79) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL4257120 0.83 GRM2 (1.00) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL13917993 0.81 GRM2 (0.68) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL133913 0.78 SLC1A1 (1.00) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL2265548 0.78 SLC1A1 (1.00) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL130817 0.78 SLC1A1 (1.00) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL8377822 0.78 SLC1A1 (1.00) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL5286288 0.77 GRM2 (0.62) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL6448129 0.77 GRM2 (0.62) GRM2GRM3SLC1A1SLC1A2SLC1A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210849-A1 Methods for treating disorders associated with mGLU receptors including addiction and depression MARKOU ATHINA (US) 2013-08-15 US disclosed
US-8354447-B2 mGLU receptors antagonists for treating disorders associated with mGLU receptors including addiction and depression THE SCRIPPS RESEARCH INSTITUTE (US) 2013-01-15 US disclosed
EP-1539149-B1 COMBINATIONS OF METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE IN TREATING ADDICTIVE DISORDERS NOVARTIS AG (CH) 2012-01-04 EP disclosed
US-20060148835-A1 Mglu receptors antagonists for treating disorders associated with mglu receptors including addiction and depression NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-07-06 US disclosed
EP-1539149-A2 MGLU RECEPTORS ANTAGONISTS FOR TREATING DISORDERS ASSOCIATED WITH MGLU RECEPTORS INCLUDING ADDICTION AND DEPRESSION Novartis AG (CH) 2005-06-15 EP disclosed
WO-2004024150-A2 MGLU RECEPTORS ANTAGONISTS FOR TREATING DISORDERS ASSOCIATED WITH MGLU RECEPTORS INCLUDING ADDICTION AND DEPRESSION NOVARTIS AG (CH) 2004-03-25 WO disclosed