SCHEMBL6135870

SCHEMBL6135870

CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccc(Oc2ccc(N(CCCCn3c(CCCC)nc4c(N)nc5ccccc5c43)C(N)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.53
TLR8 Q9NR97 1/20 0.52

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
SCHEMBL6100742 0.91 TLR7 (0.62) TLR7TLR8
SCHEMBL5750287 0.87 TLR7 (0.62) TLR7TLR8
SCHEMBL6704858 0.86 TLR7 (0.63) TLR7TLR8
SCHEMBL5750029 0.86 TLR7 (0.61) TLR7TLR8
SCHEMBL5355736 0.85 TLR7 (0.68) TLR7TLR8
SCHEMBL14592798 0.85 TLR7 (0.63) TLR7TLR8
SCHEMBL5352069 0.84 TLR7 (0.67) TLR7TLR8
SCHEMBL14592845 0.84 TLR7 (0.64) TLR7TLR8
SCHEMBL14592759 0.83 TLR7 (0.63) TLR7TLR8
SCHEMBL5355984 0.83 TLR7 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542688-A2 1H-IMIDAZO DIMERS 3M Innovative Properties Company (US) 2005-06-22 EP claimed
WO-2004028539-A2 1H-IMIDAZO DIMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-08 WO claimed
EP-1542688-A2 1H-IMIDAZO DIMERS 3M Innovative Properties Company (US) 2005-06-22 EP disclosed
WO-2004028539-A2 1H-IMIDAZO DIMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-08 WO disclosed