SCHEMBL5840973

SCHEMBL5840973

N[C@@]1(C(=O)OCc2cccs2)CC[C@H]2[C@H](C(=O)O)[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
SLC1A3 P43003 1/20 0.41
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
PDE1C Q14123 1/20 0.34
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL6469151 1.00 GRM8 (0.47) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5840977 0.84 GRM8 (0.47) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL6469153 0.84 GRM8 (0.47) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5843002 0.80 GRM2 (0.47) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5840776 0.80 SLC1A2 (0.48) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5840768 0.79 SLC1A2 (0.47) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5841578 0.77 GRM2 (0.47) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5841620 0.76 GRM2 (0.46) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL6465474 0.76 GRM2 (0.46) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5841613 0.76 GRM2 (0.46) GRM8GRM6GRM2GRM3SLC1A2

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-7038077-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed