SCHEMBL10146642

SCHEMBL10146642

C=C(C)Cn1c(=O)n(C)c2cc(-c3cc(C)ccc3N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARG Q86W56 1/20 0.34
CXCR3 P49682 1/20 0.33
MAPK14 Q16539 4/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL14993287 0.84 PRMT5 (0.38) GRM2MEN1KMT2AHTTNPC1
SCHEMBL10145910 0.81 GRM2 (0.60) GRM2PARG
SCHEMBL10145993 0.72 GRM2 (0.60) GRM2PARG
SCHEMBL10145981 0.72 CYP11B1 (0.39) GRM2KMT2AGRIN1GRIN2BMAPK14
SCHEMBL10145864 0.71 GRM2 (0.59) GRM2PARG
SCHEMBL10146004 0.71 BRD4 (0.48) GRM2MEN1KMT2ANPC1RAB9A
SCHEMBL10146361 0.71 GRM2 (0.62) GRM2ALDH1A1PARG
SCHEMBL10145941 0.69 GRM2 (0.47) GRM2MEN1KMT2ANPC1ALDH1A1
SCHEMBL10145948 0.69 GRM2 (0.49) GRM2L3MBTL1MAPK14
SCHEMBL10145952 0.68 GRM2 (0.45) GRM2NPC1MAPK14

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