SCHEMBL1503233

SCHEMBL1503233

CN(c1ccc2c(n1)n(C)c(=O)n2CC1CC1(F)F)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.46
PARG Q86W56 7/20 0.41
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35

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
SCHEMBL1502957 0.79 GRM2 (0.41) GRM2PARGALDH1A1TSHRSMN1; SMN2
SCHEMBL6891297 0.77 GRM2 (0.47) GRM2PARGMAPTGRIN1GRIN2B
SCHEMBL1502974 0.77 GRM2 (0.64) GRM2PARGALDH1A1MAPTTSHR
SCHEMBL1502926 0.77 GRM2 (0.64) GRM2PARGALDH1A1MAPTTSHR
SCHEMBL1502968 0.77 GRM2 (0.64) GRM2PARGALDH1A1MAPTTSHR
SCHEMBL1503038 0.75 GRM2 (0.61) GRM2PARGMAPTTSHR
SCHEMBL6891306 0.75 GRM2 (0.52) GRM2PARGALDH1A1GAATSHR
SCHEMBL6893791 0.75 GRM2 (0.52) GRM2PARGALDH1A1GAATSHR
SCHEMBL6892255 0.75 GRM2 (0.52) GRM2PARGALDH1A1GAATSHR
SCHEMBL1502970 0.73 GRM2 (0.50) GRM2PARGALDH1A1TSHRSMN1; SMN2

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
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO claimed
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO disclosed