SCHEMBL6773457

SCHEMBL6773457

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
TLR7 Q9NYK1 9/20 0.41
TLR8 Q9NR97 6/20 0.41
NUDT1 P36639 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CPB1 P15086 1/20 0.40
KDM4E B2RXH2 1/20 0.40
FAAH O00519 1/20 0.40
GRIN2B Q13224 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6768386 0.92 TLR7 (0.42) L3MBTL1TLR7TLR8NUDT1ALDH1A1
SCHEMBL6897348 0.91 ALDH1A1 (0.46) TLR7TLR8NUDT1ALDH1A1KDM4E
SCHEMBL6773368 0.87 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6773193 0.87 GNAI3 (0.39) TLR7TLR8NUDT1
SCHEMBL6777299 0.86 ALDH1A1 (0.43) TLR7TLR8NUDT1ALDH1A1KDM4E
SCHEMBL6773784 0.85 RAB9A (0.44) TLR7TLR8NUDT1ALDH1A1KDM4E
SCHEMBL6097194 0.84 NPY1R (0.45) TLR7TLR8NUDT1KDM4E
SCHEMBL6279887 0.84 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6095134 0.84 HRH3 (0.42) TLR7TLR8NUDT1
SCHEMBL6701295 0.84 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