SCHEMBL6775141

SCHEMBL6775141

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.51
TLR8 Q9NR97 9/20 0.51
NUDT1 P36639 1/20 0.42
NAAA Q02083 1/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
TP53 P04637 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6772297 0.92 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6768640 0.91 TLR7 (0.43) TLR7TLR8DRD3HTR1ATP53
SCHEMBL6779049 0.91 DRD2 (0.45) TLR7TLR8DRD3HTR1AHTR2A
SCHEMBL6778794 0.91 SMN1; SMN2 (0.48) TLR7TLR8DRD3DRD4MAPT
SCHEMBL6775234 0.90 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6768616 0.89 MCHR1 (0.47) TLR7TLR8DRD3TP53DRD2
SCHEMBL6772194 0.89 TLR7 (0.42) TLR7TLR8DRD3
SCHEMBL6774230 0.88 TLR7 (0.44) TLR7TLR8DRD3TP53DRD2
SCHEMBL6772917 0.88 TLR7 (0.45) TLR7TLR8DRD3DRD2
SCHEMBL6779968 0.88 MCHR1 (0.47) TLR7TLR8

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