SCHEMBL6891830

SCHEMBL6891830

CCOC(=O)C1CCCN(c2ccc3c(n2)n(C)c(=O)n3CC2CC2(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.45
SHMT2 P34897 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
MMP13 P45452 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL6891800 0.84 GRM2 (0.63) GRM2SHMT2ALDH1A1SMN1; SMN2TP53
SCHEMBL6891440 0.83 GRM2 (0.49) GRM2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6894128 0.82 GRM2 (0.45) GRM2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1503038 0.82 GRM2 (0.61) GRM2LMNAKMT2AMAPTNPSR1
SCHEMBL1502968 0.81 GRM2 (0.64) GRM2ALDH1A1LMNAPOLBMAPT
SCHEMBL1502926 0.81 GRM2 (0.64) GRM2ALDH1A1LMNAPOLBMAPT
SCHEMBL1502974 0.81 GRM2 (0.64) GRM2ALDH1A1LMNAPOLBMAPT
SCHEMBL6891162 0.77 GRM2 (0.50) GRM2ALDH1A1KMT2ATP53HSD17B10
SCHEMBL1502970 0.73 GRM2 (0.50) GRM2ALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6890122 0.72 GRM2 (0.69) GRM2

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