SCHEMBL5845592

SCHEMBL5845592

C=CCOC(=O)N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)OCc3c(C)cc(C)cc3C)[C@H]21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.32
GRM3 Q14832 3/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5845057 1.00 GRM2 (0.32) GRM2GRM3LMNAKDM4EALDH1A1
SCHEMBL6527774 0.84 GRM2 (0.35) GRM2GRM3
SCHEMBL5840380 0.84 GRM2 (0.35) GRM2GRM3
SCHEMBL6526776 0.84 GRM2 (0.35) GRM2GRM3
SCHEMBL5841128 0.84 GRM2 (0.35) GRM2GRM3
SCHEMBL5842801 0.83 GRM2 (0.36) GRM2GRM3
SCHEMBL5841180 0.83 GRM2 (0.36) GRM2GRM3
SCHEMBL5842164 0.80 GRM2 (0.31) GRM2GRM3
SCHEMBL5841850 0.78 GRM2 (0.39) GRM2GRM3
SCHEMBL29484698 0.78 GRM2 (0.39) GRM2GRM3

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