SCHEMBL9003541

SCHEMBL9003541

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
SLC7A5 Q01650 1/20 0.48
GRIK1 P39086 2/20 0.43
GRIA2 P42262 2/20 0.43
GRIA4 P48058 2/20 0.43
GRIK3 Q13003 2/20 0.43
GRIK5 Q16478 2/20 0.43
GRIA1 P42261 1/20 0.43
GRIK2 Q13002 1/20 0.43
GLUL P15104 1/20 0.43

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
SCHEMBL9003529 1.00 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
SCHEMBL9003604 1.00 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
SCHEMBL9003813 0.78 CYP2D6 (0.44)
SCHEMBL9003822 0.78 CYP2D6 (0.44)
SCHEMBL10212363 0.76 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
SCHEMBL21585639 0.76 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
SCHEMBL21690060 0.76 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
SCHEMBL21577845 0.76 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
SCHEMBL434919 0.76 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
SCHEMBL434918 0.76 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1

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
US-5500419-A NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1996-03-19 US disclosed