SCHEMBL9845006

SCHEMBL9845006

N=C(NN)OCCC(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.41
SLC1A1 P43005 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
GRIN2B Q13224 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
SCHEMBL9845010 1.00 GSR (0.41) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL9845084 0.81 GSR (0.43) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL9845087 0.81 GSR (0.43) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL9334907 0.76 GSR (0.39) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL12189856 0.76 GSR (0.50) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL21531606 0.73 SLC1A1 (0.48) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL4289326 0.73 NOS3 (0.49) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL302495 0.72 NOS3 (0.51) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL1512959 0.72 GSR (0.46) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL31480708 0.72 GSR (0.46) GSRSLC1A1GRM8GRM6GRIN2D

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-0446699-A1 Inhibitors of nitric oxide biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1991-09-18 EP disclosed