SCHEMBL5843053

SCHEMBL5843053

Cc1cc(C)c(COC(=O)[C@H]2[C@@H]3CC[C@@](N)(C(=O)O)[C@@H]32)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM2 Q14416 1/20 0.48
GRM3 Q14832 1/20 0.48
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
LMNA P02545 1/20 0.36

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
SCHEMBL6465534 1.00 GRM8 (0.48) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL6463864 0.99 GRM8 (0.47) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5842445 0.99 GRM8 (0.47) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5840940 0.86 GRM8 (0.48) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5841867 0.79 GRM2 (0.50) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL6466259 0.79 GRM2 (0.50) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL6700132 0.75 GRM8 (0.46) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5845057 0.75 GRM2 (0.32) GRM2GRM3LMNA
SCHEMBL5845592 0.75 GRM2 (0.32) GRM2GRM3LMNA
SCHEMBL6469153 0.74 GRM8 (0.47) 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