SCHEMBL5840977

SCHEMBL5840977

N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)OCc3cccs3)[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 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.34
PDE1C Q14123 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSC P53634 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
SCHEMBL6469153 1.00 GRM8 (0.47) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL6469151 0.84 GRM8 (0.47) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5840973 0.84 GRM8 (0.47) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5841690 0.76 FABP7 (0.46) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL6466259 0.75 GRM2 (0.50) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5841867 0.75 GRM2 (0.50) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5841333 0.75 GRM8 (0.44) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL6700199 0.74 GRM2 (0.49) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL8530205 0.74 FABP7 (0.45) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5840940 0.74 GRM8 (0.48) 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