SCHEMBL2325925

SCHEMBL2325925

CCCC(c1cc(C)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.52
HTR2C P28335 2/20 0.38
HCRTR1 O43613 11/20 0.35
HCRTR2 O43614 11/20 0.35
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL2024885 0.93 GRM2 (0.53) GRM2HTR2CHCRTR1HCRTR2GRIN2B
SCHEMBL2332877 0.90 GRM2 (0.52) GRM2HTR2CHCRTR1HCRTR2GRIN2B
SCHEMBL2022164 0.88 GRM2 (0.54) GRM2HTR2CHCRTR1HCRTR2GRIN2B
SCHEMBL2023199 0.88 GRM2 (0.54) GRM2HTR2CHCRTR1HCRTR2GRIN2B
SCHEMBL2023783 0.87 GRM2 (0.51) GRM2HTR2CHCRTR1HCRTR2GRIN2B
SCHEMBL2026127 0.87 GRM2 (0.53) GRM2HTR2CHCRTR1HCRTR2GRIN2B
SCHEMBL2027899 0.87 GRM2 (0.53) GRM2HTR2CHCRTR1HCRTR2GRIN2B
SCHEMBL2022896 0.85 GRM2 (0.49) GRM2HTR2CHCRTR1HCRTR2
SCHEMBL2028251 0.85 GRM2 (0.49) GRM2HTR2CALDH1A1TSHRCYP3A4
SCHEMBL2023969 0.81 GRM2 (0.57) GRM2HTR2CHCRTR1HCRTR2GRIN2B

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