SCHEMBL6776452

SCHEMBL6776452

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.46
TLR8 Q9NR97 7/20 0.45
ALDH1A1 P00352 2/20 0.44
NUDT1 P36639 1/20 0.44
FAAH O00519 1/20 0.44
MAPT P10636 1/20 0.41
EPHX1 P07099 3/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5030293 0.95 TLR7 (0.46) TLR7TLR8ALDH1A1NUDT1FAAH
SCHEMBL6781852 0.90 CCR3 (0.42) TLR7MAPT
SCHEMBL6783075 0.90 HDAC3 (0.43) TLR7TLR8ALDH1A1NUDT1MAPT
SCHEMBL6776337 0.89 TLR8 (0.45) TLR7TLR8ALDH1A1NUDT1MAPT
SCHEMBL6777586 0.89 PKM (0.47) TLR7ALDH1A1MAPTHTT
SCHEMBL6782683 0.89 MEN1 (0.44) TLR7TLR8NUDT1MAPT
SCHEMBL6773021 0.89 CCR3 (0.41) TLR7TLR8MAPT
SCHEMBL6776089 0.88 CCR3 (0.44) TLR7TLR8MAPT
SCHEMBL6773544 0.87 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL6777836 0.86 TLR7 (0.43) TLR7TLR8ALDH1A1NUDT1

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