SCHEMBL2331184

SCHEMBL2331184

Cc1cc(N2CCN(C(C)C3CCCNC3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.48
HCRTR1 O43613 10/20 0.34
HCRTR2 O43614 10/20 0.34
HTR2C P28335 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CHRM4 P08173 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACACB O00763 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2025534 0.83 GRM2 (0.62) GRM2HCRTR1HCRTR2HTR2CALDH1A1
SCHEMBL2028589 0.81 GRM2 (0.53) GRM2HCRTR1HCRTR2HTR2CALDH1A1
SCHEMBL2022488 0.80 GRM2 (0.51) GRM2HCRTR1HCRTR2HRH3ALDH1A1
SCHEMBL2028720 0.79 GRM2 (0.53) GRM2HCRTR1HCRTR2CHRM4ALDH1A1
SCHEMBL2022288 0.77 GRM2 (0.47) GRM2HCRTR1HCRTR2CHRM4ALDH1A1
SCHEMBL8271956 0.77 GRM2 (0.47) GRM2HCRTR1HCRTR2CHRM4ALDH1A1
SCHEMBL2028083 0.76 GRM2 (0.47) GRM2HCRTR1HCRTR2HRH3CHRM4
SCHEMBL2027899 0.76 GRM2 (0.53) GRM2HCRTR1HCRTR2HTR2CALDH1A1
SCHEMBL2022164 0.76 GRM2 (0.54) GRM2HCRTR1HCRTR2HTR2CALDH1A1
SCHEMBL2023238 0.76 GRM2 (0.54) GRM2CHRM4ALDH1A1

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-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed