SCHEMBL6824845

SCHEMBL6824845

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 5/20 0.46
SLC1A1 P43005 5/20 0.46
SLC1A3 P43003 4/20 0.46
GRIK1 P39086 4/20 0.45
GRIK2 Q13002 3/20 0.45
P2RY10 O00398 5/20 0.43
GPR34 Q9UPC5 2/20 0.43
SLC7A5 Q01650 1/20 0.43
NOD1 Q9Y239 1/20 0.41
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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 1.00 SLC1A2 (0.46) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
Water SCHEMBL4794963 0.98 SLC1A2 (0.45) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL1514886 0.89 SLC1A2 (0.49) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL27532543 0.89 SLC1A2 (0.49) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL476726 0.89 SLC1A2 (0.49) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL7066411 0.84 SLC1A1 (0.58) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL5707302 0.83 SLC7A5 (0.44) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL7781906 0.82 NAAA (0.56) SLC1A2SLC1A1GRIK1GRIK2P2RY10
SCHEMBL7918479 0.82 NAAA (0.56) SLC1A2SLC1A1GRIK1GRIK2P2RY10
SCHEMBL16124672 0.82 NAAA (0.56) SLC1A2SLC1A1GRIK1GRIK2P2RY10

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
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed