SCHEMBL6774328

SCHEMBL6774328

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)c1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
TLR7 Q9NYK1 5/20 0.40
TLR8 Q9NR97 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6772832 0.87 TP53 (0.47) BRD4TLR7TLR8DRD2DRD4
SCHEMBL6779395 0.87 TLR7 (0.46) TLR7TLR8DRD2DRD4DRD3
SCHEMBL6774215 0.86 TLR8 (0.54) BRD4TLR7TLR8DRD3TP53
SCHEMBL6772889 0.86 SMN1; SMN2 (0.48) DRD4DRD3MEN1KMT2ANPC1
SCHEMBL6778818 0.85 HDAC3 (0.47) TLR7TLR8DRD2DRD4DRD3
SCHEMBL6768615 0.85 TLR7 (0.39) TLR7TLR8TP53MAPT
SCHEMBL6774230 0.85 TLR7 (0.44) BRD4TLR7TLR8DRD2DRD4
SCHEMBL6775047 0.84 TLR7 (0.44) BRD4TLR7TLR8DRD2DRD4
SCHEMBL6772805 0.83 TRPV1 (0.44) BRD4TLR7TLR8NPC1RAB9A
SCHEMBL6096076 0.83 TLR7 (0.45) TLR7TLR8RAB9ASMN1; SMN2

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