SCHEMBL625531

SCHEMBL625531

COc1ncc(-c2ccc3c(c2)n(C)c(=O)n3CCC(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.42
GRIN2B Q13224 7/20 0.39
GRIN1 Q05586 6/20 0.39
ATM Q13315 2/20 0.39
ATR Q13535 1/20 0.39
P2RX3 P56373 1/20 0.38
FTO Q9C0B1 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK14 Q16539 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 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
SCHEMBL10146334 0.82 GRM2 (0.64) GRM2P2RX3FTOPIK3CAMTOR
SCHEMBL625686 0.71 GRM2 (0.51) GRM2GAAKDM4EALDH1A1MAPT
SCHEMBL12505191 0.71 GRM2 (0.44) GRM2P2RX3
SCHEMBL14991857 0.68 GRM2 (0.55) GRM2ATMP2RX3
SCHEMBL10146330 0.68 GRM2 (0.54) GRM2
SCHEMBL25864985 0.67 GRM2 (0.57) GRM2GAAKDM4EALDH1A1MAPT
SCHEMBL627293 0.66 GRM2 (0.46) GRM2GRIN2BGRIN1ALDH1A1MAPT
SCHEMBL10146325 0.66 GRM2 (0.64) GRM2
SCHEMBL624936 0.64 GRM2 (0.66) GRM2PIK3CAMTOR
SCHEMBL10146333 0.64 GRM2 (0.70) GRM2GRIN2BGRIN1

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
EP-2603079-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-06-19 EP claimed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO claimed