SCHEMBL10145817

SCHEMBL10145817

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(Oc4ncccc4N)c3)cc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.57
PARG Q86W56 1/20 0.37
TRIM24 O15164 1/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10146658 0.89 GRM2 (0.50) GRM2PARG
SCHEMBL10146643 0.87 GRM2 (0.48) GRM2PARG
SCHEMBL626738 0.86 GRM2 (0.54) GRM2PARGGRIN1GRIN2B
SCHEMBL10146010 0.85 PARG (0.39) GRM2PARGTRIM24GRIN1GRIN2B
SCHEMBL10146656 0.85 GRM2 (0.59) GRM2PARGTRIM24GRIN1GRIN2B
SCHEMBL10146360 0.82 GRM2 (0.64) GRM2PARGTRIM24NPC1RAB9A
SCHEMBL10146341 0.82 GRM2 (0.77) GRM2PARGTRIM24NPC1RAB9A
SCHEMBL10146389 0.81 GRM2 (0.59) GRM2PARGTRIM24GRIN1GRIN2B
SCHEMBL627826 0.79 GRM2 (0.56) GRM2PARGTRIM24
SCHEMBL10146388 0.78 GRM2 (0.55) GRM2GRIN1GRIN2B

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