SCHEMBL10145952

SCHEMBL10145952

CCCCCCn1c(=O)n(C)c2cc(-c3ccccc3N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
METAP2 P50579 1/20 0.42
ICMT O60725 3/20 0.40
HDAC1 Q13547 1/20 0.40
TLR8 Q9NR97 3/20 0.40
NPC1 O15118 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CES1 P23141 2/20 0.38
CDC25A P30304 1/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 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
SCHEMBL10145941 0.95 GRM2 (0.47) GRM2METAP2NPC1MAPK14RORA
SCHEMBL10145948 0.90 GRM2 (0.49) GRM2METAP2MAPK14
SCHEMBL14992820 0.83 PGR (0.44) GRM2TMEM97SIGMAR1RORARORC
SCHEMBL10146676 0.81 GRM2 (0.47) GRM2METAP2MAPK14
SCHEMBL10146668 0.81 GRM2 (0.70) GRM2METAP2
SCHEMBL10145950 0.80 MAPK14 (0.53) GRM2METAP2MAPK14KDM4EMAPT
SCHEMBL626748 0.78 GRM2 (0.67) GRM2MAPK14KDM4ERORARORC
SCHEMBL10146671 0.78 PARG (0.51) GRM2METAP2MAPK14
SCHEMBL10146004 0.78 BRD4 (0.48) GRM2HDAC1NPC1KDM4EMAPT
SCHEMBL14992269 0.78 GRM2 (0.44) GRM2MAPK14

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