SCHEMBL6768601

SCHEMBL6768601

CCCCC(=O)NCCCn1c(COCC)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.45
TLR8 Q9NR97 14/20 0.45
NUDT1 P36639 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
SCHEMBL6778701 0.90 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6094643 0.88 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL6774879 0.86 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6773502 0.86 TLR7 (0.37) TLR7TLR8
SCHEMBL6094673 0.85 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6288244 0.85 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL5616918 0.84 TLR8 (0.42) TLR7TLR8NUDT1
SCHEMBL6771821 0.84 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL6775573 0.83 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6777774 0.83 TLR7 (0.41) 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