SCHEMBL9759465

SCHEMBL9759465

NC(=O)CCC(N)(C(=O)O)C(=O)C(N)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GSR P00390 1/20 0.46
GRIK1 P39086 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIN2B Q13224 1/20 0.46

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
SCHEMBL9759339 1.00 CYP1A2 (0.46) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL1713768 0.91 CYP1A2 (0.50) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL1713767 0.91 CYP1A2 (0.50) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL10636405 0.85 GRM8 (0.47) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL5582239 0.85 KMT2A (0.37) CYP1A2GRM8GRM6GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL10636188 0.83 GRM8 (0.46) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL16087015 0.83 GSR (0.47) GSRKMT2ABLMPMP22ALOX15
SCHEMBL29278526 0.82 CYP1A2 (0.44) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL1308119 0.81 GSR (0.43) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL3447511 0.81 GSR (0.43) CYP1A2GRM8GRM6GRIN2DGRIN3B

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-1991016067-A1 SOLUBLE AND STABLE SOURCES OF TYROSINE, CYSTEINE AND GLUTAMINE FOR TOTAL PARENTERAL NUTRITION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-31 WO claimed
WO-1991016067-A1 SOLUBLE AND STABLE SOURCES OF TYROSINE, CYSTEINE AND GLUTAMINE FOR TOTAL PARENTERAL NUTRITION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-31 WO disclosed