SCHEMBL3382287

SCHEMBL3382287

NC(CC(=O)N(Cl)Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 10/20 0.48
▸ GRIK2 Q13002 7/20 0.46
▸ GRM1 Q13255 1/20 0.46
▸ GRM2 Q14416 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.44
▸ PTGS1 P23219 1/20 0.42
▸ SLC7A11 Q9UPY5 1/20 0.42
▸ GGT1 P19440 4/20 0.41
▸ SLC1A1 P43005 3/20 0.41
▸ GRIA4 P48058 3/20 0.41
▸ GRIK3 Q13003 3/20 0.41
▸ GRIK5 Q16478 3/20 0.41
▸ SLC1A3 P43003 2/20 0.40
▸ SLC1A2 P43004 2/20 0.40
▸ GRIA2 P42262 2/20 0.39
▸ GRIA1 P42261 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
SCHEMBL3379975 0.84 GRIK1 (0.47) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL11712204 0.77 GSR (0.58) GRIK1GRIK2GRM1GRM2GGT1
SCHEMBL7906647 0.76 GRIK1 (0.54) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL197013 0.76 GRIK1 (0.54) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL3382098 0.76 GRIK1 (0.48) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL9545322 0.76 SLC7A5 (0.68) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL29024969 0.76 SLC7A5 (0.68) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL600881 0.76 SLC7A5 (0.68) GRIK1GRIK2GRM1GRM2SLC7A5
Hydrochloric Acid SCHEMBL8892666 0.73 SLC7A5 (0.65) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL13057623 0.72 — —

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 — — WO disclosed
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