SCHEMBL6771916

SCHEMBL6771916

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.48
TLR8 Q9NR97 8/20 0.48
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
FBP1 P09467 1/20 0.40
GAA P10253 1/20 0.40
NUDT1 P36639 1/20 0.40

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
SCHEMBL6773648 0.92 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6773147 0.90 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6775141 0.86 TLR7 (0.51) TLR7TLR8NUDT1DRD2DRD3
SCHEMBL6768441 0.85 TLR7 (0.47) TLR7TLR8KDM4ENUDT1
SCHEMBL6774879 0.85 TLR7 (0.48) TLR7TLR8HPGDKDM4ELMNA
SCHEMBL6779814 0.85 FAAH (0.47) TLR7TLR8LMNAHDAC1HDAC8
SCHEMBL6772264 0.83 TLR7 (0.45) TLR7TLR8HPGDKDM4ELMNA
SCHEMBL6286196 0.83 TLR7 (0.45) TLR7TLR8NUDT1DRD2DRD3
SCHEMBL6777954 0.82 TLR7 (0.41) TLR7TLR8HPGDKDM4EGAA
SCHEMBL6772297 0.82 TLR7 (0.44) 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