SCHEMBL13613811

SCHEMBL13613811

CCCCNC(=O)N1CCC(CCOCC(CC)n2cnc3c(N)nc4ccccc4c32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.39
TLR8 Q9NR97 4/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM4 P08173 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADORA2A P29274 1/20 0.35
ADRA1A P35348 1/20 0.35
NUDT1 P36639 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL13613812 0.89 FAAH (0.42) TLR7KMT2AMEN1GAALMNA
SCHEMBL13613810 0.89 TLR7 (0.39) TLR7TLR8KMT2AMEN1LMNA
SCHEMBL13613815 0.87 LCK (0.36) TLR7TLR8CNR1CNR2LMNA
SCHEMBL13613819 0.85 EPHX2 (0.41) KCNH2
SCHEMBL4338051 0.85 TLR7 (0.40) TLR7TLR8LMNAPOLBHRH2
SCHEMBL13613823 0.85 LMNA (0.41) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13613813 0.85 TLR7 (0.38) TLR7TLR8LMNAPOLBHRH2
SCHEMBL13613820 0.84 LMNA (0.42) TLR7KMT2AMEN1LMNAPOLB
SCHEMBL13613825 0.84 IDO1 (0.37) TLR7KMT2AMEN1LMNAPOLB
SCHEMBL13613817 0.84 CCR3 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed