SCHEMBL6528913

SCHEMBL6528913

Cn1cnc(COc2ccc3nnc(-c4ccccc4)n3n2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
GABRA1 P14867 3/20 0.54
GABRG2 P18507 3/20 0.54
GABRB3 P28472 3/20 0.54
GABRA3 P34903 3/20 0.54
GABRA2 P47869 3/20 0.54
GABRA5 P31644 2/20 0.54
LRRK2 Q5S007 4/20 0.47
BRD4 O60885 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
CREBBP Q92793 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
PDE10A Q9Y233 3/20 0.43

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
SCHEMBL341135 0.81 GABRA1 (0.60) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL6988047 0.81 GABRA1 (0.59) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL339263 0.81 GABRA1 (0.66) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL341428 0.79 GABRG2 (0.57) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL2646458 0.78 GABRA1 (0.56) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL341244 0.78 GABRA1 (0.67) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL2654038 0.78 GABRG2 (0.68) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL341313 0.77 GABRA1 (0.61) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL342193 0.77 GABRA1 (0.56) KDM4EHPGDHSD17B10GABRA1GABRG2
SCHEMBL341615 0.76 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2

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-2005063248-A1 MODAFINIL COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed