SCHEMBL8558691

SCHEMBL8558691

N[C@@H](CC(Sc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.49
GRM3 Q14832 2/20 0.49
SLC1A1 P43005 2/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
GRIK1 P39086 4/20 0.44
HTT P42858 1/20 0.44
GRIK2 Q13002 3/20 0.43
KIF11 P52732 4/20 0.41

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
SCHEMBL8557443 0.84 SIRT5 (0.51) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL8557449 0.84 SIRT5 (0.51) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL27889659 0.79 HTT (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8564937 0.76 GRM2 (0.39) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL22338605 0.76 CPA1 (0.42) PKMHTT
SCHEMBL8564931 0.76 GRM2 (0.39) GRM2GRM3SLC1A1SLC1A3SLC1A2
SCHEMBL1931269 0.76 HTT (0.71) PKMHTT
SCHEMBL10824817 0.76 ALDH1A1 (0.51) HTT
SCHEMBL9099120 0.76 HTT (0.71) PKMHTT
SCHEMBL9666324 0.73 ALDH1A1 (0.49) PKMHTT

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
US-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed