SCHEMBL8533265

SCHEMBL8533265

NC1(C(=O)Oc2ccccc2)CCC2C(C(=O)Oc3ccccc3)C21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ELANE P08246 2/20 0.38
POLB P06746 1/20 0.35
FABP7 O15540 1/20 0.35
FABP3 P05413 1/20 0.35
FABP5 Q01469 1/20 0.35
P4HB P07237 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5842444 0.71 GRM2 (0.52) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5841333 0.69 GRM8 (0.44) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL1956495 0.69 HPGD (0.44) ALDH1A1POLBGAA
SCHEMBL7124212 0.69 SLC1A2 (0.50) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL4810978 0.69 SLC1A2 (0.50) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL4810967 0.68 SLC1A2 (0.49) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL10418525 0.67 RAB9A (0.40) ALDH1A1POLBGAA
SCHEMBL6697973 0.66 GRM2 (0.67) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5690924 0.66 SLC1A2 (0.46) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL1615863 0.65 L3MBTL1 (0.45) ALDH1A1POLBGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696577-B1 Synthetic excitatory amino acids LILLY CO ELI (US) 1998-10-14 EP disclosed
WO-1996005175-A1 SYNTHETIC EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 1996-02-22 WO disclosed
EP-0696577-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY (US) 1996-02-14 EP disclosed