SCHEMBL2939828

SCHEMBL2939828

CC(Oc1cnccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 10/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
LIPE Q05469 3/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOA P21397 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL2939817 0.87 IGF1R (0.36) TAS2R8PPARDPPARADPP4DPP7
SCHEMBL2941037 0.85 TAS2R8 (0.41) TAS2R8PPARDPPARAPOLBL3MBTL1
SCHEMBL2940720 0.83 IGF1R (0.42) TAS2R8
SCHEMBL2941133 0.83 IGF1R (0.40) LIPENPBWR1MCHR1HCRTR1HCRTR2
SCHEMBL2941640 0.83 HCRTR1 (0.38) PPARDPPARACACNA2D1POLBHCRTR1
SCHEMBL2939830 0.82 KCNH2 (0.41) MCHR1
SCHEMBL2940197 0.82 PPARD (0.38) TAS2R8PPARDPPARALIPENPBWR1
SCHEMBL2941225 0.81 AOC1 (0.39) TAS2R8PPARDPPARALIPENPBWR1
SCHEMBL2936420 0.81 PPARD (0.37) TAS2R8PPARDPPARALIPENPBWR1
SCHEMBL2937375 0.81 PPARD (0.39) TAS2R8PPARDPPARALIPEPOLB

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
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed