SCHEMBL9968121

SCHEMBL9968121

CCC(C)(C)c1ncc2c(n1)c1ncccc1n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE10A Q9Y233 2/20 0.32
MAPK14 Q16539 1/20 0.32
TLR7 Q9NYK1 2/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31

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
SCHEMBL9968130 0.86 ADORA2A (0.40) ADORA3ADORA2APDE10AMAPK14TLR7
SCHEMBL9968125 0.77 ADORA3 (0.37) ADORA3ADORA2APDE10AMAPK14TLR7
SCHEMBL2628342 0.73 ADORA3 (0.54) ADORA3ADORA2AMAPK14GABRPGABRD
SCHEMBL9968119 0.73 ADORA3 (0.36) ADORA3ADORA2APDE10AMAPK14TLR7
SCHEMBL9968114 0.72 ADORA3 (0.42) ADORA3ADORA2APDE10AMAPK14KDM4E
SCHEMBL9968126 0.70 PDE10A (0.44) ADORA3ADORA2APDE10AMAPK14KDM4E
SCHEMBL9968157 0.70 ADORA3 (0.39) ADORA3ADORA2AMAPK14KDM4ETDP1
SCHEMBL2628391 0.68 MAPK14 (0.44) ADORA3ADORA2APDE10AMAPK14GABRP
SCHEMBL9968093 0.67 GABRP (0.51) TLR7GABRPGABRDGABRA1GABRB1
SCHEMBL10283980 0.67 ADORA3 (0.38) ADORA3ADORA2APDE10AMAPK14KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed