SCHEMBL5797481

SCHEMBL5797481

C=C(C)C(=C)CC(N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 14/20 0.68
GRIK2 Q13002 9/20 0.68
GRM1 Q13255 1/20 0.68
GRM2 Q14416 1/20 0.68
SLC7A5 Q01650 1/20 0.48
GRIA4 P48058 3/20 0.44
GRIK3 Q13003 3/20 0.44
GRIK5 Q16478 3/20 0.44
SLC1A3 P43003 4/20 0.43
SLC1A2 P43004 4/20 0.43
SLC1A1 P43005 3/20 0.43
GRIA2 P42262 2/20 0.42
GRIA1 P42261 1/20 0.42
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41

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
SCHEMBL8518827 0.82 GRIK1 (0.56) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL23002879 0.82 GRIK1 (0.56) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL13966046 0.81
SCHEMBL497587 0.81 GRIK1 (1.00) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL1476505 0.81 GRIK1 (1.00) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL3508713 0.81
SCHEMBL3981383 0.81 GRIK1 (1.00) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL3617857 0.81
Ammonia Solution, Strong SCHEMBL638403 0.79 GRIK1 (0.95) GRIK1GRIK2GRM1GRM2SLC7A5
Hydrochloric Acid SCHEMBL7214839 0.79 GRIK1 (0.58) GRIK1GRIK2GRM1GRM2SLC7A5

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-2006030208-A1 AMINO ACID UNIVERSITY OF LEEDS (GB) 2006-03-23 WO claimed
WO-2006030208-A1 AMINO ACID UNIVERSITY OF LEEDS (GB) 2006-03-23 WO disclosed