SCHEMBL6894553

SCHEMBL6894553

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=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
FAAH O00519 1/20 0.37
CCR3 P51677 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6782472 0.90 FAAH (0.47) HDAC1HDAC8HDAC6MAPTFAAH
SCHEMBL6776138 0.85 NPC1 (0.41) MAPTFAAHCCR3KDM4EKMT2A
SCHEMBL6773388 0.84 TLR7 (0.37) MAPTKDM4EKMT2AHSD17B10TDP1
SCHEMBL6773645 0.84 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6783075 0.84 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6772971 0.83 CCR3 (0.39) MAPTFAAHCCR3MAPK1KDM4E
SCHEMBL6782943 0.83 CCR3 (0.43) MAPTCCR3RAB9ANPC1TLR7
SCHEMBL6096076 0.83 TLR7 (0.45) GAARAB9ATLR7
SCHEMBL6779797 0.82 BRD4 (0.36) MAPTTLR7
SCHEMBL6773525 0.82 TLR7 (0.41) TLR7

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