SCHEMBL4610280

SCHEMBL4610280

Cc1noc(C)c1-c1ccc(OCCN2C(=O)CCC2=O)cn1.O=C1CCC(=O)N1CCOc1ccc(-c2ccncc2F)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
FFAR1 O14842 4/20 0.35
BMP4 P12644 1/20 0.34
PRKCI P41743 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
GSK3B P49841 1/20 0.32
BRD4 O60885 4/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
DHODH Q02127 1/20 0.32
SRC P12931 2/20 0.32

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
SCHEMBL4599727 0.88 TAS2R8 (0.38) BRD4TAS2R8AURKAAURKBSRC
SCHEMBL4591402 0.88 BMP4 (0.39) BMP4GPR119GSK3BCCNCCDK8
SCHEMBL4590873 0.75 CYP4F2 (0.35) GSK3BDHODH
SCHEMBL4590822 0.75 RAB9A (0.47)
SCHEMBL4590069 0.73 NPC1 (0.42)
SCHEMBL4591010 0.72 PLA2G7 (0.41) SRC
SCHEMBL4591062 0.71 NPC1 (0.42) DHODH
SCHEMBL4590732 0.71 RAB9A (0.42)
SCHEMBL4590888 0.70 CYP11B1 (0.46)
SCHEMBL4590739 0.70 GRM2 (0.38) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO disclosed