SCHEMBL5113065

SCHEMBL5113065

Cc1ccc(-c2ccoc2C(=O)NC2CCN(CCC3(CC(=O)NCCCC(=O)O)CCCC3)CC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
HPGDS O60760 2/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK14 Q16539 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 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
SCHEMBL4691747 0.95 PDE10A (0.37) PDE10AL3MBTL1FPR3FPR2ADRA1D
SCHEMBL4690301 0.92 TSHR (0.38) PDE10AL3MBTL1FPR3FPR2DRD2
SCHEMBL4686652 0.91 PDE10A (0.38) PDE10AL3MBTL1FPR3FPR2DRD2
SCHEMBL4687447 0.91 PDE10A (0.39) PDE10AL3MBTL1FPR3FPR2ADRA1D
SCHEMBL4691347 0.91 TSHR (0.39) PDE10AL3MBTL1FPR3FPR2DRD2
SCHEMBL4686983 0.90 PDE10A (0.41) PDE10AL3MBTL1DRD2HTR2ADRD3
SCHEMBL1847387 0.90 PDE10A (0.40) PDE10AL3MBTL1DRD2HTR2ADRD3
SCHEMBL4688414 0.88 L3MBTL1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4686584 0.88 PDE10A (0.34) PDE10AL3MBTL1DRD2HTR2ADRD3
SCHEMBL4690005 0.86 PDE10A (0.40) PDE10AL3MBTL1FPR3FPR2DRD2

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-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed