SCHEMBL6768441

SCHEMBL6768441

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)CCCCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.47
TLR8 Q9NR97 8/20 0.47
ADORA2A P29274 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 1/20 0.35
NUDT1 P36639 1/20 0.34

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
SCHEMBL6771916 0.85 TLR7 (0.48) TLR7TLR8KDM4ENUDT1
SCHEMBL6777954 0.84 TLR7 (0.41) TLR7TLR8KDM4EHSD17B10NUDT1
SCHEMBL6782828 0.84 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6285998 0.84 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6773648 0.83 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6768345 0.82 ALDH1A1 (0.45) TLR7TLR8KDM4EHSD17B10
SCHEMBL6776799 0.82 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6777013 0.82 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6774169 0.82 TLR7 (0.39) TLR7TLR8KDM4EHSD17B10
SCHEMBL6773147 0.82 TLR7 (0.45) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed