SCHEMBL9438438

SCHEMBL9438438

CC(=O)NC(=O)C[C@H](N)C(=O)O.[InH3]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 9/20 0.48
SLC7A5 Q01650 1/20 0.45
GRIK2 Q13002 5/20 0.44
GRM1 Q13255 1/20 0.42
GRM2 Q14416 1/20 0.42
GRIA4 P48058 3/20 0.41
GRIK3 Q13003 3/20 0.41
GRIK5 Q16478 3/20 0.41
SLC1A3 P43003 5/20 0.41
SLC1A2 P43004 5/20 0.41
SLC1A1 P43005 4/20 0.41
GRIA2 P42262 2/20 0.40
GRIA1 P42261 1/20 0.40

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
SCHEMBL8353811 0.98 GRIK1 (0.50) GRIK1SLC7A5GRIK2GRM1GRM2
SCHEMBL22769505 0.98 GRIK1 (0.50) GRIK1SLC7A5GRIK2GRM1GRM2
SCHEMBL14344224 0.98 GRIK1 (0.50) GRIK1SLC7A5GRIK2GRM1GRM2
SCHEMBL8176334 0.79 GRIK1 (0.47) GRIK1SLC7A5GRIK2GRM1GRM2
SCHEMBL467809 0.78 GRM8 (0.54) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL2909135 0.78 GRM8 (0.54) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL369357 0.77 GRIK1 (0.48) GRIK1SLC7A5GRIK2GRM1GRM2
SCHEMBL8160588 0.76 GRM8 (0.52) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL359673 0.76 SLC7A5 (0.50) GRIK1SLC7A5GRIK2GRM1GRM2
SCHEMBL8368782 0.76 SLC7A5 (0.50) GRIK1SLC7A5GRIK2GRM1GRM2

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-5358705-A For reducing or preventing dental plaque or oral diseases, dentifrices, mouthwashes THE PROCTER & GAMBLE COMPANY (US) 1994-10-25 US disclosed
US-5286480-A Reducing dental plaque coating on teeth THE PROCTER & GAMBLE COMPANY (US) 1994-02-15 US disclosed