SCHEMBL6909757

SCHEMBL6909757

CCOC(=O)[C@H]1C2C(NC(=O)c3ccc(OC)cc3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.47
GRM3 Q14832 2/20 0.47
CNR2 P34972 1/20 0.37
GRM6 O15303 1/20 0.37
GRM4 Q14833 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SSTR3 P32745 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 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
SCHEMBL6909754 1.00 GRM2 (0.47) GRM2GRM3CNR2GRM6GRM4
SCHEMBL6913679 0.92 GRM2 (0.37) GRM2GRM3HTTMEN1KMT2A
SCHEMBL6913681 0.92 GRM2 (0.37) GRM2GRM3HTTMEN1KMT2A
SCHEMBL6911124 0.91 GRM2 (0.38) GRM2GRM3GRM6GRM4MAPT
SCHEMBL6911129 0.91 GRM2 (0.38) GRM2GRM3GRM6GRM4MAPT
SCHEMBL6904297 0.90 GRM2 (0.43) GRM2GRM3LMNAMAPTHTT
SCHEMBL6904292 0.90 GRM2 (0.43) GRM2GRM3LMNAMAPTHTT
SCHEMBL6906608 0.90 GRM2 (0.43) GRM2GRM3LMNAMAPTSSTR3
SCHEMBL6906612 0.90 GRM2 (0.43) GRM2GRM3LMNAMAPTSSTR3
SCHEMBL6910265 0.90 GRM2 (0.50) GRM2GRM3CNR2GRM6GRM4

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