SCHEMBL6773100

SCHEMBL6773100

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
TLR7 Q9NYK1 8/20 0.38
EPHX2 P34913 1/20 0.37
TLR8 Q9NR97 5/20 0.37
NUDT1 P36639 1/20 0.35
DHFR P00374 4/20 0.35
NPY1R P25929 2/20 0.34
CXCR3 P49682 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL6772904 0.88 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6773368 0.88 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6779023 0.87 GAA (0.40) TLR7EPHX2TLR8NUDT1
SCHEMBL6768740 0.86 NPC1 (0.42) RAB9ATLR7TLR8NUDT1
SCHEMBL6769722 0.85 MAPK7 (0.42) EPHX2
SCHEMBL6773840 0.84 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6768623 0.83 CCR2 (0.43)
SCHEMBL6773545 0.82 TLR7 (0.43) TLR7TLR8
SCHEMBL6774067 0.81 ALDH1A1 (0.39) TLR7TLR8NUDT1
SCHEMBL6093363 0.81 TLR7 (0.36) 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