SCHEMBL5240481

SCHEMBL5240481

CCN(Cc1cc(C)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.48
CNR2 P34972 1/20 0.45
GRIA2 P42262 1/20 0.42
TSHR P16473 1/20 0.38
DHFR P00374 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CETP P11597 1/20 0.36
GRIN2B Q13224 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM5 P08912 4/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL2022432 0.87 GRM2 (0.50) GRM2CNR2TSHRGRIN2BALDH1A1
SCHEMBL2022914 0.85 GRM2 (0.53) GRM2TSHRGRIN2BALDH1A1CHRM5
SCHEMBL12441933 0.85 GRM2 (0.56) GRM2TSHRMEN1KMT2AGRIN2B
SCHEMBL12441932 0.84 GRM2 (0.52) GRM2TSHRMEN1KMT2AGRIN2B
SCHEMBL2024477 0.81 GRM2 (0.50) GRM2GRIN2BALDH1A1CHRM5HCRTR1
SCHEMBL2029723 0.81 GRM2 (0.56) GRM2TSHRGRIN2BALDH1A1CHRM5
SCHEMBL12641830 0.81 GRM2 (0.59) GRM2TSHRMEN1KMT2AGRIN2B
SCHEMBL2024263 0.81 GRM2 (0.54) GRM2TSHRGRIN2BALDH1A1CHRM5
SCHEMBL2022847 0.81 GRM2 (0.54) GRM2TSHRGRIN2BALDH1A1CHRM5
SCHEMBL8272053 0.80 GRM2 (0.53) GRM2TSHRGRIN2BALDH1A1CHRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP claimed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO claimed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed