SCHEMBL627293

SCHEMBL627293

CC(C)CCn1c(=O)n(C)c2cc(-c3cccc(F)c3C#N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.46
BCL6 P41182 2/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 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
SCHEMBL625686 0.86 GRM2 (0.51) GRM2BCL6ALDH1A1MAPT
SCHEMBL14992415 0.84 GRM2 (0.58) GRM2GRIN1GRIN2BNPC1ALDH1A1
SCHEMBL627494 0.73 GRM2 (0.44) GRM2BCL6CYP1A2
SCHEMBL14992794 0.72 GRM2 (0.59) GRM2
SCHEMBL14991890 0.72 GRM2 (0.56) GRM2GRIN1GRIN2B
SCHEMBL14992483 0.72 GRM2 (0.58) GRM2
SCHEMBL14992604 0.71 GRM2 (0.45) GRM2BCL6ALDH1A1CYP1A2
SCHEMBL628004 0.70 GRM2 (0.59) GRM2CYP1A2
SCHEMBL14992069 0.70 GRM2 (0.56) GRM2
SCHEMBL627348 0.70 GRM2 (0.46) GRM2BCL6GRIN1GRIN2BCYP1A2

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