SCHEMBL6789089

SCHEMBL6789089

NC1(C(=O)O)CC(OC(=O)Nc2cccc3ccccc23)C2C(C(=O)O)C21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.46
GRM3 Q14832 13/20 0.46
GRM6 O15303 3/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FABP7 O15540 2/20 0.43
FABP3 P05413 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
GRM4 Q14833 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6789091 1.00 GRM2 (0.46) GRM2GRM3GRM6LMNATP53
SCHEMBL6910384 1.00 GRM2 (0.46) GRM2GRM3GRM6LMNATP53
SCHEMBL6787505 0.85 GRM2 (0.53) GRM2GRM3GRM6
SCHEMBL6788902 0.85 GRM2 (0.56) GRM2GRM3GRM6GAA
SCHEMBL6908511 0.85 GRM2 (0.56) GRM2GRM3GRM6GAA
SCHEMBL6909715 0.85 GRM2 (0.53) GRM2GRM3GRM6
SCHEMBL6787502 0.85 GRM2 (0.53) GRM2GRM3GRM6
SCHEMBL6908514 0.85 GRM2 (0.56) GRM2GRM3GRM6GAA
SCHEMBL6794862 0.83 GRM2 (0.52) GRM2GRM3GRM6LMNA
SCHEMBL6794702 0.82 GRM2 (0.47) GRM2GRM3GRM6GRM4

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