SCHEMBL6788529

SCHEMBL6788529

N[C@@]1(C(=O)O)C[C@H](NC(=O)Nc2cccc(Cl)c2)[C@H]2[C@H](C(=O)O)[C@H]21

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.72
GRM3 Q14832 18/20 0.72
GRM6 O15303 3/20 0.54
GRM4 Q14833 1/20 0.54
GRM8 O00222 1/20 0.53
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6790536 1.00 GRM2 (0.72) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6795258 0.90 GRM2 (0.61) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6796653 0.90 GRM2 (0.61) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6796401 0.89 GRM2 (0.70) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6787888 0.88 GRM2 (0.73) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6799565 0.88 GRM2 (0.71) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6797937 0.88 GRM2 (0.71) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6793008 0.87 GRM2 (0.58) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6789067 0.86 GRM2 (0.60) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6792051 0.84 GRM2 (0.67) GRM2GRM3GRM6GRM4GRM8

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-20040116489-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY 2004-06-17 US disclosed