SCHEMBL6772831

SCHEMBL6772831

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)NCC(=O)OCC)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
TLR7 Q9NYK1 13/20 0.37
TLR8 Q9NR97 10/20 0.37
NUDT1 P36639 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
NPY1R P25929 2/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6776588 0.91 EPHX2 (0.37) TLR7TLR8NUDT1L3MBTL1
SCHEMBL6777973 0.89 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6778341 0.88 TLR7 (0.35) TLR7TLR8NUDT1
SCHEMBL6777554 0.87 KDM4E (0.36) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6773840 0.86 TLR7 (0.37) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6777299 0.86 ALDH1A1 (0.43) FAAHTLR7TLR8NUDT1ALDH1A1
SCHEMBL6093363 0.85 TLR7 (0.36) TLR7TLR8NUDT1
SCHEMBL6773193 0.84 GNAI3 (0.39) TLR7TLR8NUDT1NPY1R
SCHEMBL6288804 0.84 TLR7 (0.41) TLR7TLR8NUDT1ALDH1A1L3MBTL1
SCHEMBL6774067 0.84 ALDH1A1 (0.39) FAAHTLR7TLR8NUDT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100402528-C Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-07-16 CN claimed
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