SCHEMBL9968108

SCHEMBL9968108

CC(C)Cc1ccc2c(n1)c1ncccc1n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.44
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
TLR7 Q9NYK1 2/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
MAPK14 Q16539 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
ALOX5AP P20292 1/20 0.34
HTR6 P50406 2/20 0.34
KCNH2 Q12809 2/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL9968116 0.81 PRNP (0.45) TLR7LMNAMEN1KMT2AKDM4E
SCHEMBL9968126 0.79 PDE10A (0.44) PDE10AADORA3ADORA2AMAPK14HTR6
SCHEMBL2628342 0.77 ADORA3 (0.54) ADORA3ADORA2AMAPK14LMNAKDM4E
SCHEMBL27019836 0.76 CCR1 (0.55) PDE10AHTR2AHTR2CHTR2BHTR6
SCHEMBL9968097 0.75 ADORA3 (0.41) PDE10AADORA3ADORA2AMAPK14HTR2A
SCHEMBL23153388 0.74 L3MBTL1 (0.43) PDE10AHTR2AHTR2CHTR2BHTR6
SCHEMBL9968114 0.72 ADORA3 (0.42) PDE10AADORA3ADORA2AMAPK14HTR6
SCHEMBL9968119 0.70 ADORA3 (0.36) PDE10AADORA3ADORA2ATLR7MAPK14
SCHEMBL13183589 0.70 ADORA3 (0.61) PDE10AADORA3ADORA2AMAPK14LMNA
SCHEMBL14518833 0.68 PDE10A (0.42) PDE10ATLR7HTR2AHTR2CHTR2B

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