SCHEMBL5669098

SCHEMBL5669098

CC(CCN)c1nc2ccccc2c2c1ncn2CCCCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
ADORA2A P29274 1/20 0.44
ADRA1A P35348 1/20 0.44
NUDT1 P36639 1/20 0.44
HTR2B P41595 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 1/20 0.44
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL5668890 0.90 TLR7 (0.46) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL5669048 0.86 TLR7 (0.49) TLR7POLBLMNAHRH2ADRA1D
Trifluoroacetic Acid SCHEMBL6699855 0.81 TLR7 (0.36) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL6280722 0.80 TLR7 (0.50) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL6053164 0.80 TLR7 (0.46) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL6275229 0.80 TLR7 (0.43) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL12231383 0.79 MAPK1 (0.40) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL5668186 0.79 TLR7 (0.49) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL18214190 0.79 TLR7 (0.42) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL6053075 0.79 TLR7 (0.44) TLR7POLBLMNAHRH2ADRA1D

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
EP-1730143-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
WO-2005094531-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-13 WO disclosed