SCHEMBL10657241

SCHEMBL10657241

C=CC(N)C(F)CCC(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.42
GRIK2 Q13002 3/20 0.42
GSR P00390 2/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIK3 Q13003 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL10657720 1.00 GRIK1 (0.42) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL10656395 0.77 DPP4 (0.35) NOS2NOS3NOS1
SCHEMBL10657081 0.75 GSR (0.48) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL9635451 0.75 BLM (0.59) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL10655332 0.75 GSR (0.48) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL9635455 0.75 BLM (0.59) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL8068164 0.73 GSR (0.68) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL602426 0.73 GSR (0.68) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL10659072 0.73 BLM (0.35) BLMKMT2APMP22SLC6A2SLC6A4
SCHEMBL25292030 0.72 GSR (0.54) GRIK1GRIK2GSRGRM8GRM6

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-4730006-A BACTERICIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-08 US disclosed