SCHEMBL29526261

SCHEMBL29526261

N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
GSTK1 Q9Y2Q3 1/20 0.51
GLO1 Q04760 1/20 0.45
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GSR P00390 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIK1 P39086 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

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
SCHEMBL14774754 0.97 PTGS1 (0.50) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL29526001 0.96 PTGS1 (0.50) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL29526628 0.93 PTGS1 (0.48) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL29526252 0.93 PTGS1 (0.56) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL29526403 0.93 PTGS1 (0.56) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL31480037 0.92 GLO1 (0.47) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL29526351 0.90 PTGS1 (0.53) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL30099649 0.90 GLO1 (0.47) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL30099559 0.90 GLO1 (0.47) PTGS1GSTK1GLO1GRM8GRM6
SCHEMBL22111140 0.89 PTGS1 (0.53) PTGS1GSTK1GLO1GRM8GRM6

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
CN-114269774-A Appetite suppressant compounds IP2IPO创新有限公司 2022-04-01 CN disclosed