SCHEMBL6782828

SCHEMBL6782828

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)NCC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.41
TLR8 Q9NR97 12/20 0.40
PPID Q08752 2/20 0.37
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPIG Q13427 1/20 0.37
NUDT1 P36639 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6777954 0.92 TLR7 (0.41) TLR7TLR8NUDT1ALDH1A1GAA
SCHEMBL6777013 0.89 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6776799 0.87 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6285998 0.85 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6779814 0.85 FAAH (0.47) TLR7TLR8NUDT1ALDH1A1LMNA
SCHEMBL6768441 0.84 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL6774169 0.84 TLR7 (0.39) TLR7TLR8ALDH1A1GAALMNA
SCHEMBL6782676 0.84 EPHX1 (0.41)
SCHEMBL6776787 0.83 MEN1 (0.42) TLR7TLR8
SCHEMBL6778890 0.83 TLR7 (0.40) TLR7TLR8PPIDPPIBPPIA

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed