SCHEMBL3970072

SCHEMBL3970072

CC(C)CC(=O)N1CCC(c2ccc(C3(C(=O)c4nccc5c4C(=O)OC54CCNC4)CC3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1L1 Q9UHC9 3/20 0.33
HSD11B1 P28845 7/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
TLR9 Q9NR96 4/20 0.32
TLR8 Q9NR97 4/20 0.32
TLR7 Q9NYK1 4/20 0.32
DGAT1 O75907 1/20 0.31
JAK1 P23458 1/20 0.31
USP7 Q93009 1/20 0.31
FASN P49327 1/20 0.30

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
SCHEMBL3970823 0.80 MAPT (0.36) KDM4ECYP2C19HSD11B1
SCHEMBL3977568 0.78 HSD11B1 (0.33) HSD11B1
SCHEMBL3970810 0.77 AKT1 (0.32) HSD11B1
SCHEMBL2977992 0.77 PDK2 (0.38) KDM4EHSD11B1
SCHEMBL3095009 0.76 NAMPT (0.39) HSD11B1
SCHEMBL3101115 0.76 MAPT (0.40) KDM4E
SCHEMBL2973860 0.76 HSD11B1 (0.31) HSD11B1
SCHEMBL3972108 0.74 HSD11B1 (0.33) KDM4EHSD11B1
SCHEMBL3907137 0.74 PDE2A (0.32)
SCHEMBL3974626 0.74 HSD11B1 (0.33) HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed