SCHEMBL6135841

SCHEMBL6135841

CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)NC1CCC(NC(=O)NCCCCn2c(CCCC)nc3c(N)nc4ccccc4c32)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.65
TLR8 Q9NR97 8/20 0.65

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
SCHEMBL6100078 1.00 TLR7 (0.65) TLR7TLR8
SCHEMBL14592792 0.96 TLR7 (0.63) TLR7TLR8
SCHEMBL5362385 0.93 TLR7 (0.64) TLR7TLR8
SCHEMBL6097027 0.91 TLR7 (0.74) TLR7TLR8
SCHEMBL14592757 0.90 TLR7 (0.73) TLR7TLR8
SCHEMBL14592863 0.89 TLR7 (0.72) TLR7TLR8
SCHEMBL5774831 0.89 TLR7 (0.71) TLR7TLR8
SCHEMBL14592783 0.88 TLR7 (0.60) TLR7TLR8
SCHEMBL13613798 0.87 TLR7 (0.58) TLR7TLR8
SCHEMBL5352653 0.87 TLR7 (0.71) 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 2 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