SCHEMBL6773645

SCHEMBL6773645

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPT P10636 4/20 0.42
TLR7 Q9NYK1 5/20 0.38
TLR8 Q9NR97 3/20 0.37
FAAH O00519 1/20 0.37
CCR3 P51677 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6779814 0.90 FAAH (0.47) HDAC1HDAC8HDAC6MAPTTLR7
SCHEMBL6776787 0.88 MEN1 (0.42) MAPTTLR7TLR8FAAHCCR3
SCHEMBL6779540 0.87 MAPT (0.44) MAPTTLR7TLR8FAAHALDH1A1
SCHEMBL6783075 0.85 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6777954 0.84 TLR7 (0.41) MAPTTLR7TLR8ALDH1A1GAA
SCHEMBL6782550 0.84 TLR7 (0.40) MAPTTLR7TLR8FAAHCCR3
SCHEMBL6894553 0.84 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6285998 0.84 TLR7 (0.40) TLR7TLR8
SCHEMBL6776505 0.83 PKM (0.45) MAPTCCR3ALDH1A1LMNA
SCHEMBL6782960 0.83 CCR3 (0.39) MAPTTLR7TLR8FAAHCCR3

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed