SCHEMBL10247574

SCHEMBL10247574

CC(=O)c1ccc(OCc2ccc(C(O)c3cccc(/C(N)=N/N)c3)cc2)c(C(F)(F)F)c1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.37
MRGPRX4 Q96LA9 8/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL1755709 0.89 MAPT (0.41) GRM2CYSLTR1MAPTL3MBTL1CYP2C9
SCHEMBL1755775 0.87 MAPT (0.41) GRM2CYSLTR1MAPTL3MBTL1CYP2C9
SCHEMBL1755735 0.86 CYSLTR1 (0.41) GRM2CYSLTR1MAPTL3MBTL1CYP2C9
SCHEMBL1755713 0.86 MAPT (0.40) GRM2CYSLTR1MAPTL3MBTL1CYP2C9
SCHEMBL1755741 0.82 MAPT (0.37) GRM2CYSLTR1MAPTL3MBTL1CYP2C9
SCHEMBL481208 0.82 LRRK2 (0.45) GRM2CYSLTR1MAPTL3MBTL1CYP2C9
SCHEMBL481049 0.79 GRM2 (0.64) GRM2CYSLTR1MRGPRX4
SCHEMBL8263462 0.78 CYSLTR1 (0.49) GRM2CYSLTR1MAPTMEN1KMT2A
SCHEMBL8263429 0.77 GRM2 (0.44) GRM2CYSLTR1MAPTL3MBTL1CYP2C9
Hydrochloric Acid SCHEMBL27831476 0.76 MRGPRX4 (0.56) GRM2CYSLTR1MAPTL3MBTL1CYP2C9

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
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed