SCHEMBL8527802

SCHEMBL8527802

CCCCOCC[C@H](CCC)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN(C)C)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.68
TLR8 Q9NR97 9/20 0.59

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
SCHEMBL8894288 0.94 TLR7 (0.65) TLR7TLR8
SCHEMBL6118752 0.91 TLR7 (0.80) TLR7TLR8
SCHEMBL6118784 0.91 TLR7 (0.80) TLR7TLR8
SCHEMBL8891502 0.91 TLR7 (0.64) TLR7TLR8
SCHEMBL6119291 0.91 TLR7 (0.72) TLR7TLR8
SCHEMBL8887148 0.91 TLR7 (0.72) TLR7TLR8
SCHEMBL8527410 0.91 TLR7 (0.69) TLR7TLR8
SCHEMBL8888818 0.87 TLR7 (0.76) TLR7TLR8
SCHEMBL8893974 0.87 TLR7 (0.66) TLR7TLR8
SCHEMBL8546382 0.85 TLR7 (0.59) 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
WO-2012066335-A1 PHENOL COMPOUNDS ALS TOLL -LIKE RECEPTOR 7 AGONISTS ASTRAZENECA AB (SE) 2012-05-24 WO disclosed
WO-2012067269-A1 AMINOALKOXYPHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 WO disclosed