SCHEMBL7441304

SCHEMBL7441304

N[C@H](CC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.53
GRIK2 Q13002 2/20 0.50
DPP7 Q9UHL4 1/20 0.43
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIK3 Q13003 1/20 0.42
GRIK5 Q16478 1/20 0.42
KIF11 P52732 1/20 0.41
GRM1 Q13255 1/20 0.41
GRM2 Q14416 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GRIN2D O15399 5/20 0.39
GRIN3B O60391 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2A Q12879 5/20 0.39
GRIN2B Q13224 5/20 0.39
GRIN2C Q14957 5/20 0.39
GRIN3A Q8TCU5 5/20 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
SCHEMBL28145263 1.00 GRIK1 (0.53) GRIK1GRIK2DPP7GRIA1GRIA2
SCHEMBL25660395 0.90 GRIK1 (0.46) GRIK1GRIK2GRIA1GRIA2GRIA4
SCHEMBL10794617 0.81 CES2 (0.44) GRIK1GRIK2CES2CES1ALDH1A1
SCHEMBL8531959 0.81 CES2 (0.44) GRIK1GRIK2CES2CES1ALDH1A1
SCHEMBL5322747 0.77 GRIK1 (0.46) GRIK1GRIK2DPP7GRIA1GRIA2
Biphenyl SCHEMBL7779237 0.76 GRIK1 (0.53) GRIK1GRIK2DPP7GRIA1GRIA2
SCHEMBL25660565 0.74 GRIK1 (0.38) GRIK1GRIK2GRIA1GRIA2GRIA4
SCHEMBL10102754 0.73 SLC1A3 (0.37) GRIK1CES2CES1ALDH1A1SLC1A3
SCHEMBL5909830 0.72 CES2 (0.44) CES2CES1ALDH1A1
SCHEMBL29634987 0.72 ALDH1A1 (0.47) GRIK1GRIK2GRM2CES2CES1

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
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed