SCHEMBL13613813

SCHEMBL13613813

CCC(COCCC1CCN(C(=O)N2CCOCC2)CC1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.38
NUDT1 P36639 2/20 0.37
KCNH2 Q12809 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HRH2 P25021 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
ADORA2A P29274 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
TLR8 Q9NR97 4/20 0.35
PKM P14618 2/20 0.35
USP2 O75604 1/20 0.35
AKR1C3 P42330 1/20 0.34
HTR4 Q13639 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4338051 0.87 TLR7 (0.40) TLR7NUDT1KCNH2LMNAPOLB
SCHEMBL13613812 0.87 FAAH (0.42) TLR7NUDT1KCNH2LMNAPOLB
SCHEMBL13613810 0.87 TLR7 (0.39) TLR7NUDT1KCNH2LMNAPOLB
SCHEMBL13613811 0.85 TLR7 (0.39) TLR7NUDT1KCNH2LMNAPOLB
SCHEMBL13613815 0.85 LCK (0.36) TLR7NUDT1KCNH2LMNAPOLB
SCHEMBL13613827 0.84 KMT2A (0.38) TLR7NUDT1KCNH2LMNAPOLB
SCHEMBL13999873 0.83 NPY5R (0.39) TLR7NUDT1KCNH2LMNAPOLB
SCHEMBL14533341 0.83 TLR7 (0.34) TLR7NUDT1KCNH2LMNAPOLB
SCHEMBL13613819 0.83 EPHX2 (0.41) KCNH2
SCHEMBL4334595 0.82 TLR7 (0.42) TLR7NUDT1KCNH2LMNAPOLB

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