SCHEMBL4064967

SCHEMBL4064967

CCCc1c(OCCCCCCNS(C)(=O)=O)ccc2nc(N)c3nc(COCC)[nH]c3c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.34
TLR8 Q9NR97 2/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
PDE5A O76074 2/20 0.30
GRM2 Q14416 1/20 0.30
DCK P27707 1/20 0.30

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
SCHEMBL4068953 0.85 MTNR1A (0.33) TLR7TLR8
SCHEMBL5805143 0.84 TLR7 (0.42) TLR7TLR8
SCHEMBL4070545 0.84 TLR8 (0.34) TLR7TLR8
SCHEMBL5805491 0.79 DCPS (0.38) TLR7TLR8
SCHEMBL17181527 0.76 TLR8 (0.37) TLR7TLR8
SCHEMBL4520810 0.75 TLR7 (0.34) TLR7
SCHEMBL4073451 0.75 TLR8 (0.31) TLR7TLR8
SCHEMBL25959237 0.70 TLR7 (0.42) TLR7
SCHEMBL30662187 0.68 TLR7 (0.51) TLR7TLR8
SCHEMBL21712373 0.68 TLR7 (0.51) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed