SCHEMBL625686

SCHEMBL625686

COc1cccc(-c2ccc3c(c2)n(C)c(=O)n3CCC(C)C)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.51
GAA P10253 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
BCL6 P41182 2/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL627293 0.86 GRM2 (0.46) GRM2ALDH1A1MAPTBCL6
SCHEMBL14992069 0.85 GRM2 (0.56) GRM2GAAPRMT5WDR77
SCHEMBL627494 0.71 GRM2 (0.44) GRM2BCL6GRIA2GRIA4
SCHEMBL625531 0.71 GRM2 (0.42) GRM2GAAKDM4EALDH1A1MAPT
SCHEMBL14992794 0.71 GRM2 (0.59) GRM2
SCHEMBL14992483 0.70 GRM2 (0.58) GRM2PRMT5WDR77
SCHEMBL14992415 0.70 GRM2 (0.58) GRM2ALDH1A1
SCHEMBL14992713 0.69 GRM2 (0.57) GRM2GAA
SCHEMBL10146567 0.69 GRM2 (0.59) GRM2GAA
SCHEMBL14991890 0.69 GRM2 (0.56) 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
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