SCHEMBL13613810

SCHEMBL13613810

CCC(COCCC1CCN(C(=O)NC(C)C)CC1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
ADORA2A P29274 1/20 0.39
ADRA1A P35348 1/20 0.39
NUDT1 P36639 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
TLR8 Q9NR97 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMYD3 Q9H7B4 1/20 0.34
CHRM2 P08172 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
CCR5 P51681 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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 0.91 FAAH (0.42) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL13613815 0.91 LCK (0.36) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL13613811 0.89 TLR7 (0.39) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL13613819 0.87 EPHX2 (0.41) KCNH2
SCHEMBL4338051 0.87 TLR7 (0.40) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL13613823 0.87 LMNA (0.41) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL13613813 0.87 TLR7 (0.38) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL13613820 0.86 LMNA (0.42) TLR7POLBLMNAMEN1KMT2A
SCHEMBL13613825 0.86 IDO1 (0.37) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL13613817 0.85 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