SCHEMBL1503174

SCHEMBL1503174

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC(C(=O)NCc4ccccc4)C3)nc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.58
ALK Q9UM73 2/20 0.49
IGF1R P08069 1/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL6893243 0.88 GRM2 (0.60) GRM2ALKIGF1R
Hydrochloric Acid SCHEMBL1502962 0.88 GRM2 (0.59) GRM2ALKIGF1R
SCHEMBL6890122 0.86 GRM2 (0.69) GRM2
SCHEMBL6893000 0.84 GRM2 (0.56) GRM2
SCHEMBL6891956 0.82 GRM2 (0.58) GRM2
SCHEMBL6891800 0.80 GRM2 (0.63) GRM2ALDH1A1TP53
SCHEMBL6893676 0.80 GRM2 (0.67) GRM2
SCHEMBL6893180 0.78 GRM2 (0.59) GRM2
SCHEMBL1503021 0.77 GRM2 (0.63) GRM2
SCHEMBL1503074 0.77 GRM2 (0.63) 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 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