SCHEMBL6776588

SCHEMBL6776588

CCCCNC(=O)N1CCC(CCn2c(COCC)nc3c(N)nc(C)c(C)c32)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
TLR7 Q9NYK1 8/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
HTT P42858 2/20 0.35
TLR8 Q9NR97 7/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NUDT1 P36639 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL6772831 0.91 FAAH (0.38) TLR7TLR8L3MBTL1NUDT1
SCHEMBL6773193 0.88 GNAI3 (0.39) TLR7TLR8NUDT1CTSDBACE1
SCHEMBL6777973 0.88 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6778341 0.87 TLR7 (0.35) EPHX2TLR7TLR8NUDT1
SCHEMBL6777554 0.86 KDM4E (0.36) EPHX2TLR7HTTTLR8GAA
SCHEMBL6773840 0.85 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6777299 0.85 ALDH1A1 (0.43) TLR7HTTTLR8GAANUDT1
SCHEMBL6093363 0.84 TLR7 (0.36) TLR7TLR8NUDT1
SCHEMBL6288804 0.83 TLR7 (0.41) TLR7HTTTLR8GAAL3MBTL1
SCHEMBL6774067 0.83 ALDH1A1 (0.39) 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-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