SCHEMBL6768616

SCHEMBL6768616

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
DRD4 P21917 10/20 0.46
DRD2 P14416 8/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD3 P35462 2/20 0.43
NAMPT P43490 1/20 0.43
CCR3 P51677 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6778794 0.90 SMN1; SMN2 (0.48) MAPTDRD4MEN1KMT2ATLR8
SCHEMBL6775141 0.89 TLR7 (0.51) MAPTDRD4DRD2TLR8TLR7
SCHEMBL6779968 0.89 MCHR1 (0.47) MCHR1GAATLR8TLR7NAMPT
SCHEMBL6779049 0.89 DRD2 (0.45) DRD4DRD2MEN1KMT2ATLR8
SCHEMBL6772917 0.88 TLR7 (0.45) DRD2TLR8TLR7DRD3NAMPT
SCHEMBL6776505 0.88 PKM (0.45) MCHR1MAPTKMT2ANPC1HTT
SCHEMBL6773863 0.85 GAA (0.47) MCHR1GAAMAPTDRD4DRD2
SCHEMBL6771963 0.85 MAPT (0.46) MCHR1GAAMAPTDRD4DRD2
SCHEMBL6768640 0.84 TLR7 (0.43) GAAMAPTDRD4DRD2MEN1
SCHEMBL6772194 0.84 TLR7 (0.42) TLR8TLR7NPC1RAB9ADRD3

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