SCHEMBL6772264

SCHEMBL6772264

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.45
TLR8 Q9NR97 2/20 0.45
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.41
KDM4E B2RXH2 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
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL6772921 0.92 TLR7 (0.44) TLR7TLR8
SCHEMBL6773179 0.90 TLR7 (0.42) TLR7TLR8HDAC1HDAC8
SCHEMBL6779205 0.88 TLR7 (0.43) TLR7TLR8HPGDLMNAKDM4E
SCHEMBL6778065 0.87 RAB9A (0.48) TLR7TLR8LMNAKDM4ESMN1; SMN2
SCHEMBL6094697 0.87 TLR7 (0.42) TLR7TLR8LMNASMN1; SMN2
SCHEMBL6779395 0.86 TLR7 (0.46) TLR7TLR8HDAC3HDAC4HDAC1
SCHEMBL6782472 0.85 FAAH (0.47) TLR7TLR8LMNAHDAC1HDAC8
SCHEMBL6096076 0.84 TLR7 (0.45) TLR7TLR8SMN1; SMN2GAA
SCHEMBL6771916 0.83 TLR7 (0.48) TLR7TLR8HPGDLMNAKDM4E
SCHEMBL6774879 0.83 TLR7 (0.48) TLR7TLR8HPGDLMNAKDM4E

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