SCHEMBL27658201

SCHEMBL27658201

Nc1nccn1CCCCN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.62
ARG1 P05089 1/20 0.51
HRH3 Q9Y5N1 5/20 0.42
P2RX7 Q99572 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL27637418 0.98 TLR8 (0.60) TLR8ARG1HRH3P2RX7SIGMAR1
SCHEMBL27658198 0.89 TLR8 (0.51) TLR8ARG1HRH3SIGMAR1L3MBTL1
SCHEMBL823462 0.88 TLR8 (0.50) TLR8ARG1HRH3SIGMAR1L3MBTL1
SCHEMBL28043028 0.78 TLR8 (0.70) TLR8ARG1KMT2A
SCHEMBL27637305 0.78 TLR8 (0.70) TLR8ARG1KMT2A
SCHEMBL5464719 0.77 TLR8 (1.00) TLR8ARG1KMT2ATLR7
SCHEMBL27637354 0.77 TLR8 (0.68) TLR8ARG1KMT2A
SCHEMBL2060316 0.76 TLR8 (0.49) TLR8ARG1HRH3SIGMAR1
SCHEMBL6767282 0.76 TLR8 (0.67) TLR8ARG1HRH3KMT2A
SCHEMBL27658200 0.76 TLR8 (0.67) TLR8ARG1KMT2A

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
CN-1858039-A Synthetic method for 1-amino-3 (azacyclo alkyl)-2, 4-imidazole diketone UNIV CHINA PHARMACY (CN) 2006-11-08 CN disclosed