SCHEMBL10145948

SCHEMBL10145948

CCCn1c(=O)n(C)c2cc(-c3ccccc3N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.49
METAP2 P50579 2/20 0.45
MAPK14 Q16539 3/20 0.41
ADORA2B P29275 5/20 0.40
ADORA2A P29274 3/20 0.40
CHEK1 O14757 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
HPD P32754 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL10145941 0.92 GRM2 (0.47) GRM2METAP2MAPK14CHEK1HPD
SCHEMBL10145952 0.90 GRM2 (0.45) GRM2METAP2MAPK14
SCHEMBL10146668 0.85 GRM2 (0.70) GRM2METAP2
SCHEMBL10146676 0.85 GRM2 (0.47) GRM2METAP2MAPK14CHEK1HPD
SCHEMBL10145950 0.84 MAPK14 (0.53) GRM2METAP2MAPK14CHEK1
SCHEMBL10146671 0.82 PARG (0.51) GRM2METAP2MAPK14CHEK1
SCHEMBL10146004 0.82 BRD4 (0.48) GRM2HPD
SCHEMBL627348 0.81 GRM2 (0.46) GRM2MAPK14ADORA2BADORA2AADORA1
SCHEMBL10146672 0.77 PARG (0.46) GRM2METAP2MAPK14ADORA2ACHEK1
SCHEMBL24665898 0.75 CYP1A2 (0.61) POLBTHRBL3MBTL1CYP1A2

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