SCHEMBL6779049

SCHEMBL6779049

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.45
DRD3 P35462 11/20 0.45
ADRA1A P35348 8/20 0.45
TLR7 Q9NYK1 2/20 0.45
TLR8 Q9NR97 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
HTR1A P08908 4/20 0.42
ADRA2A P08913 4/20 0.42
DRD4 P21917 4/20 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
SCHEMBL6775141 0.91 TLR7 (0.51) DRD2DRD3TLR7TLR8HTR1A
SCHEMBL6768616 0.89 MCHR1 (0.47) DRD2DRD3TLR7TLR8DRD4
SCHEMBL6778794 0.88 SMN1; SMN2 (0.48) DRD3TLR7TLR8HDAC3HDAC1
SCHEMBL6768640 0.87 TLR7 (0.43) DRD2DRD3ADRA1ATLR7TLR8
SCHEMBL6774230 0.86 TLR7 (0.44) DRD2DRD3TLR7TLR8DRD4
SCHEMBL6775234 0.86 TLR7 (0.44) TLR7TLR8HDAC3HDAC1
SCHEMBL6772917 0.86 TLR7 (0.45) DRD2DRD3ADRA1ATLR7TLR8
SCHEMBL6773865 0.86 SMN1; SMN2 (0.52) DRD2DRD3TLR7TLR8LMNA
SCHEMBL6779968 0.86 MCHR1 (0.47) TLR7TLR8HDAC3
SCHEMBL6768551 0.85 TLR7 (0.42) TLR7TLR8HDAC3HDAC1HDAC2

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