SCHEMBL6773147

SCHEMBL6773147

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.45
TLR8 Q9NR97 9/20 0.45
NUDT1 P36639 1/20 0.40
NAMPT P43490 1/20 0.37

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
SCHEMBL6773648 0.92 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6771916 0.90 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6775141 0.86 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL6779814 0.85 FAAH (0.47) TLR7TLR8NUDT1
SCHEMBL6778860 0.85 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6773179 0.83 TLR7 (0.42) TLR7TLR8NUDT1NAMPT
SCHEMBL6286196 0.83 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6777954 0.82 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6768441 0.82 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL6772297 0.82 TLR7 (0.44) 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