SCHEMBL5842801

SCHEMBL5842801

C=CCOC(=O)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 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 7/20 0.33
ATXN2 Q99700 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
SCHEMBL5841180 1.00 GRM2 (0.36) GRM2GRM3MEN1KMT2AENPP2
SCHEMBL5840380 0.85 GRM2 (0.35) GRM2GRM3
SCHEMBL6527774 0.85 GRM2 (0.35) GRM2GRM3
SCHEMBL6526776 0.85 GRM2 (0.35) GRM2GRM3
SCHEMBL5841128 0.85 GRM2 (0.35) GRM2GRM3
SCHEMBL5845592 0.83 GRM2 (0.32) GRM2GRM3
SCHEMBL5845057 0.83 GRM2 (0.32) GRM2GRM3
SCHEMBL5842164 0.80 GRM2 (0.31) GRM2GRM3
SCHEMBL29484698 0.80 GRM2 (0.39) GRM2GRM3
SCHEMBL5841850 0.80 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