SCHEMBL6773840

SCHEMBL6773840

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.37
TLR8 Q9NR97 12/20 0.36
NUDT1 P36639 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6774067 0.96 ALDH1A1 (0.39) TLR7TLR8NUDT1HSP90AA1HSP90AB1
SCHEMBL6093363 0.88 TLR7 (0.36) TLR7TLR8NUDT1HSP90AA1HSP90AB1
SCHEMBL6777973 0.87 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6288804 0.87 TLR7 (0.41) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6773193 0.87 GNAI3 (0.39) TLR7TLR8NUDT1HSP90AA1HSP90AB1
SCHEMBL6778341 0.86 TLR7 (0.35) TLR7TLR8NUDT1
SCHEMBL6772831 0.86 FAAH (0.38) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6776588 0.85 EPHX2 (0.37) TLR7TLR8NUDT1
SCHEMBL6773368 0.85 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6701295 0.85 HRH3 (0.42) 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