SCHEMBL5246133

SCHEMBL5246133

Cc1cc(C(C)(c2ccncc2)C2CCNCC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.53
HTR2C P28335 2/20 0.40
CHRM5 P08912 1/20 0.35
GRIN2B Q13224 1/20 0.35
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
PIK3CG P48736 2/20 0.35
TYMS P04818 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PPARG P37231 4/20 0.33
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL2022261 0.87 GRM2 (0.55) GRM2HTR2CCHRM5GRIN2BHCRTR1
SCHEMBL2023783 0.80 GRM2 (0.51) GRM2HTR2CCHRM5GRIN2BHCRTR1
SCHEMBL27703750 0.80 HTR2C (0.36) GRM2HTR2CCHRM5HCRTR1HCRTR2
SCHEMBL2023969 0.80 GRM2 (0.57) GRM2HTR2CCHRM5GRIN2BHCRTR1
SCHEMBL2026779 0.80 GRM2 (0.57) GRM2HTR2CCHRM5GRIN2BHCRTR1
SCHEMBL8270181 0.80 GRM2 (0.57) GRM2HTR2CCHRM5GRIN2BHCRTR1
SCHEMBL2027849 0.79 GRM2 (0.60) GRM2HTR2CCHRM5GRIN2BPIK3CG
SCHEMBL12580820 0.79 GRM2 (0.56) GRM2HTR2CCHRM5GRIN2BHCRTR1
SCHEMBL2025995 0.78 GRM2 (0.55) GRM2HTR2CCHRM5GRIN2BHCRTR1
SCHEMBL12442033 0.78 GRM2 (0.53) GRM2HTR2CCHRM5GRIN2BHCRTR1

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 2 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