SCHEMBL13452829

SCHEMBL13452829

CC(=O)c1ccc(OCc2cccc(Oc3ccc(/C(C)=N/N)cn3)c2)c(C(F)(F)F)c1O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.68
CYSLTR1 Q9Y271 13/20 0.68
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3168336 0.90 GRM2 (0.72) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL3178712 0.88 GRM2 (0.70) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL3173172 0.83 GRM2 (0.68) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL13452806 0.81 GRM2 (0.71) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL3171343 0.81 GRM2 (1.00) GRM2CYSLTR1
SCHEMBL3173109 0.77 GRM2 (0.68) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL13452877 0.76 GRM2 (0.69) GRM2CYSLTR1MAPTL3MBTL1HTT
Hydrochloric Acid SCHEMBL27831476 0.75 MRGPRX4 (0.56) GRM2CYSLTR1MAPTL3MBTL1HTT
SCHEMBL3164262 0.75 CYSLTR1 (1.00) GRM2CYSLTR1
SCHEMBL13452631 0.75 MAPT (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-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP disclosed