SCHEMBL10146671

SCHEMBL10146671

Cn1c(=O)n(CC2(C)CC2)c2ccc(-c3ccccc3N)cc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 15/20 0.51
GRM2 Q14416 1/20 0.44
METAP2 P50579 2/20 0.39
MAPK14 Q16539 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL10146635 0.84 GRM2 (0.62) PARGGRM2MAPK14
SCHEMBL14992923 0.83 PARG (0.48) PARGGRM2
SCHEMBL10145948 0.82 GRM2 (0.49) GRM2METAP2MAPK14CHEK1
SCHEMBL10145941 0.80 GRM2 (0.47) GRM2METAP2MAPK14CHEK1
SCHEMBL10146668 0.80 GRM2 (0.70) PARGGRM2METAP2
SCHEMBL10146676 0.80 GRM2 (0.47) PARGGRM2METAP2MAPK14CHEK1
SCHEMBL10145950 0.79 MAPK14 (0.53) GRM2METAP2MAPK14CHEK1
SCHEMBL10146572 0.79 PARG (0.48) PARGGRM2
SCHEMBL10145837 0.78 PARG (0.42) PARGGRM2
SCHEMBL10145952 0.78 GRM2 (0.45) GRM2METAP2MAPK14

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-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed