SCHEMBL5841867

SCHEMBL5841867

N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)OCc3cc(Cl)cc(Cl)c3)[C@H]21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.50
GRM3 Q14832 2/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ENPP2 Q13822 11/20 0.36
FFAR4 Q5NUL3 1/20 0.35
IDO1 P14902 2/20 0.33
ATXN2 Q99700 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
SCHEMBL6466259 1.00 GRM2 (0.50) GRM2GRM3GRM8GRM6SLC1A2
Hydrochloric Acid SCHEMBL5840940 0.86 GRM8 (0.48) GRM2GRM3GRM8GRM6SLC1A2
SCHEMBL6465534 0.79 GRM8 (0.48) GRM2GRM3GRM8GRM6SLC1A2
SCHEMBL5843053 0.79 GRM8 (0.48) GRM2GRM3GRM8GRM6SLC1A2
Hydrochloric Acid SCHEMBL6463864 0.78 GRM8 (0.47) GRM2GRM3GRM8GRM6SLC1A2
Hydrochloric Acid SCHEMBL5842445 0.78 GRM8 (0.47) GRM2GRM3GRM8GRM6SLC1A2
SCHEMBL8530205 0.77 FABP7 (0.45) GRM2GRM3GRM8GRM6SLC1A2
SCHEMBL5840977 0.75 GRM8 (0.47) GRM2GRM3GRM8GRM6SLC1A2
SCHEMBL6469153 0.75 GRM8 (0.47) GRM2GRM3GRM8GRM6SLC1A2
SCHEMBL5841690 0.74 FABP7 (0.46) GRM2GRM3GRM8GRM6SLC1A2

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