SCHEMBL1825003

SCHEMBL1825003

CNC(=O)c1cn(CC(F)(F)F)c2ncccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.54
PDE4A P27815 3/20 0.46
KCNH2 Q12809 3/20 0.46
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
CNR2 P34972 5/20 0.44
ATM Q13315 1/20 0.43
CNR1 P21554 4/20 0.42

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
SCHEMBL17176249 0.81 HTR3A (0.60) HTR3ACNR2ATMCNR1
SCHEMBL19068184 0.78 HTR3A (0.57) HTR3ACNR2ATMCNR1
SCHEMBL17170603 0.77 HTR3A (0.59) HTR3ACNR2ATMCNR1
SCHEMBL7169759 0.74 PDE4A (0.62) PDE4AKCNH2
SCHEMBL9685522 0.74 LMNA (0.64) PDE4AKCNH2CNR2CNR1
SCHEMBL17176644 0.73 HTR3A (0.59) HTR3ACNR2ATMCNR1
SCHEMBL12496362 0.73 PDE4A (0.54) PDE4AKCNH2CNR2ATMCNR1
SCHEMBL17163701 0.72 HTR3A (0.86) HTR3A
SCHEMBL17163703 0.72 HTR3A (0.86) HTR3A
SCHEMBL17324756 0.71 HTR3A (0.49) HTR3ACNR2ATMCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011527320-A 2011-10-27 JP claimed
EP-2315767-A2 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-05-04 EP claimed
WO-2010004197-A2 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO claimed
EP-2315767-A2 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-05-04 EP disclosed
WO-2010004197-A2 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO disclosed