SCHEMBL6773863

SCHEMBL6773863

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MCHR1 Q99705 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TLR7 Q9NYK1 2/20 0.43
TLR8 Q9NR97 1/20 0.43
DRD2 P14416 6/20 0.43
DRD4 P21917 6/20 0.43
KIFC1 Q9BW19 1/20 0.42
NAMPT P43490 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD3 P35462 1/20 0.41

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
SCHEMBL6768556 0.90 SMN1; SMN2 (0.49) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL6773544 0.89 TLR7 (0.51) TLR7TLR8
SCHEMBL6768596 0.89 MCHR1 (0.47) GAAMCHR1TLR7TLR8NAMPT
SCHEMBL6772850 0.88 TLR7 (0.44) TLR7TLR8DRD2DRD3
SCHEMBL6779684 0.88 MCHR1 (0.50) GAAMAPTMCHR1SMN1; SMN2NPC1
SCHEMBL6772811 0.87 ALDH1A1 (0.46) MAPTTLR7TLR8DRD2NAMPT
SCHEMBL6777586 0.87 PKM (0.47) MAPTNPC1HTTRAB9AHSD17B10
SCHEMBL6768616 0.85 MCHR1 (0.47) GAAMAPTMCHR1SMN1; SMN2NPC1
SCHEMBL6771963 0.85 MAPT (0.46) GAAMAPTMCHR1SMN1; SMN2NPC1
SCHEMBL1312806 0.84 TLR7 (0.51) GAAMAPTSMN1; SMN2NPC1RAB9A

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