SCHEMBL27809579

SCHEMBL27809579

CCN(CC)Cc1noc(-c2cc(C)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3C=O)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.48
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
TSHR P16473 1/20 0.32
S1PR1 P21453 1/20 0.32
DGKA P23743 2/20 0.32
DGKZ Q13574 2/20 0.32
HCRTR1 O43613 1/20 0.31
SCN5A Q14524 2/20 0.31
TYMS P04818 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
STAT3 P40763 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL27733525 0.87 GRM2 (0.57) GRM2PPARGPPARDPPARATSHR
SCHEMBL2024656 0.80 GRM2 (0.73) GRM2PPARGPPARDPPARATSHR
SCHEMBL27905983 0.79 ALDH1A1 (0.34) GRM2TSHRDGKADGKZHCRTR1
SCHEMBL27703741 0.78 LSS (0.42) GRM2TSHRHCRTR1ALDH1A1SLC6A4
SCHEMBL27684910 0.77 ALDH1A1 (0.40) GRM2TSHRHCRTR1ALDH1A1
SCHEMBL27704001 0.77 GRM2 (0.40) GRM2HCRTR1CYP3A4ALDH1A1
SCHEMBL27684948 0.76 LSS (0.43) GRM2TSHRHCRTR1ALDH1A1SLC6A4
SCHEMBL27703939 0.76 ABL1 (0.40) GRM2CYP3A4CYP11B1CYP11B2
SCHEMBL27684946 0.76 HCRTR1 (0.42) GRM2TSHRHCRTR1ALDH1A1
SCHEMBL27704258 0.75 ALDH1A1 (0.40) GRM2TSHRHCRTR1ALDH1A1

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
CN-101039907-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-02-23 CN disclosed