SCHEMBL10145941

SCHEMBL10145941

CCCCn1c(=O)n(C)c2cc(-c3ccccc3N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
METAP2 P50579 1/20 0.43
HPD P32754 2/20 0.40
MAPK14 Q16539 1/20 0.39
PGR P06401 4/20 0.39
RORA P35398 4/20 0.39
RORC P51449 4/20 0.39
RORB Q92753 4/20 0.39
CHEK1 O14757 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL10145952 0.95 GRM2 (0.45) GRM2METAP2MAPK14RORARORC
SCHEMBL10145948 0.92 GRM2 (0.49) GRM2METAP2HPDMAPK14CHEK1
SCHEMBL626748 0.83 GRM2 (0.67) GRM2HPDMAPK14PGRRORA
SCHEMBL10146668 0.82 GRM2 (0.70) GRM2METAP2
SCHEMBL10146676 0.82 GRM2 (0.47) GRM2METAP2HPDMAPK14CHEK1
SCHEMBL10145950 0.82 MAPK14 (0.53) GRM2METAP2MAPK14CHEK1ALDH1A1
SCHEMBL14992269 0.82 GRM2 (0.44) GRM2HPDMAPK14PGR
SCHEMBL10146004 0.80 BRD4 (0.48) GRM2HPDMEN1KMT2ANPC1
SCHEMBL10146671 0.80 PARG (0.51) GRM2METAP2MAPK14CHEK1
SCHEMBL14992820 0.78 PGR (0.44) GRM2PGRRORARORCRORB

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