SCHEMBL8564931

SCHEMBL8564931

N[C@@H](CC(Sc1ncccn1)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
SLC1A1 P43005 2/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
CYP1A2 P05177 1/20 0.37
SLC7A5 Q01650 2/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
KIF11 P52732 1/20 0.36
GRIK1 P39086 2/20 0.36
KYNU Q16719 1/20 0.36
P2RX7 Q99572 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIK2 Q13002 1/20 0.35

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
SCHEMBL8564937 1.00 GRM2 (0.39) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL8558691 0.76 GRM2 (0.49) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL8556971 0.73 SLC1A1 (0.41) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL14155758 0.70 ALOX5 (0.57)
SCHEMBL24214206 0.69 HPGD (0.45) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL8557443 0.69 SIRT5 (0.51) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL8557449 0.69 SIRT5 (0.51) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL14155844 0.68 ALOX5 (0.44)
SCHEMBL1332282 0.68 SMN1; SMN2 (0.50) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL1769036 0.67 SLC7A5 (0.53) SLC1A1SLC1A3SLC1A2CYP1A2SLC7A5

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-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed