SCHEMBL28196876

SCHEMBL28196876

NC(CC(=O)OC=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 14/20 0.48
GRIK2 Q13002 9/20 0.48
GRM1 Q13255 1/20 0.48
GRM2 Q14416 1/20 0.48
SLC7A5 Q01650 1/20 0.41
GRIA4 P48058 3/20 0.41
GRIK3 Q13003 3/20 0.41
GRIK5 Q16478 3/20 0.41
GRIA2 P42262 2/20 0.41
GRIA1 P42261 1/20 0.41
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
GGT1 P19440 2/20 0.39
SLC1A1 P43005 2/20 0.39

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
SCHEMBL3196025 1.00 GRIK1 (0.48) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL3788767 0.85 GRIK1 (0.47) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL9614483 0.83 GRIK1 (0.30) GRIK1GRIK2GRM1GRM2
SCHEMBL1373501 0.79 SLC1A1 (0.54) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL4860820 0.78 SLC1A1 (0.32) SLC1A1
SCHEMBL28293178 0.76 SMN1; SMN2 (0.48)
SCHEMBL25428744 0.75 GRIK1 (0.42) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL14328763 0.75 ARG1 (0.36) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL14388352 0.75 GRIK1 (0.48) GRIK1GRIK2GRM1GRM2SLC7A5
SCHEMBL14882533 0.75 GRIK1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105254573-B A kind of preparation method of Taltirelin and its intermediate 重庆莱美隆宇药业有限公司 2018-01-23 CN claimed