SCHEMBL6916637

SCHEMBL6916637

CCOC(=O)[C@H]1C2C(NC(=O)c3cccc(F)c3)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 5/20 0.47
GRM3 Q14832 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM6 O15303 1/20 0.37
GRM4 Q14833 1/20 0.37
LMNA P02545 4/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
GRM5 P41594 1/20 0.35
CPB2 Q96IY4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6916632 1.00 GRM2 (0.47) GRM2GRM3L3MBTL1SMN1; SMN2POLB
SCHEMBL6901983 0.91 GRM2 (0.40) GRM2GRM3SMN1; SMN2GRM6GRM4
SCHEMBL6901988 0.91 GRM2 (0.40) GRM2GRM3SMN1; SMN2GRM6GRM4
SCHEMBL6911744 0.91 GRM2 (0.38) GRM2GRM3L3MBTL1GRM6GRM4
SCHEMBL6911749 0.91 GRM2 (0.38) GRM2GRM3L3MBTL1GRM6GRM4
SCHEMBL6912129 0.91 TAS1R3 (0.35) GRM2GRM3GRM6GRM4DPP8
SCHEMBL6912130 0.91 TAS1R3 (0.35) GRM2GRM3GRM6GRM4DPP8
SCHEMBL6906148 0.90 TAS1R3 (0.45) GRM2GRM3L3MBTL1POLBGRM6
SCHEMBL6906145 0.90 TAS1R3 (0.45) GRM2GRM3L3MBTL1POLBGRM6
SCHEMBL6906235 0.90 GRM2 (0.47) GRM2GRM3L3MBTL1SMN1; SMN2GRM6

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