SCHEMBL1728819

SCHEMBL1728819

NC(=O)CN(CCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.43
AOC3 Q16853 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
DRD4 P21917 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
PIM1 P11309 3/20 0.41
CASR P41180 1/20 0.41
DYRK1A Q13627 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL1729017 0.90 DRD3 (0.42) AOC3DRD4HTR1AHTR2ASLC6A4
SCHEMBL1730270 0.90 EGLN1 (0.47) AOC3DRD4HTR1AHTR2ASLC6A4
SCHEMBL1729203 0.89 GRIN1 (0.42) SLC6A7AOC3GRIN1GRIN2BDRD4
SCHEMBL1727992 0.85 CASR (0.41) SLC6A7DRD4HTR1AHTR2ADRD3
SCHEMBL1727880 0.85 CNR2 (0.50) SLC6A7AOC3DRD4HTR1AHTR2A
SCHEMBL1730237 0.83 MCHR1 (0.44) SLC6A7AOC3DRD4HTR1AHTR2A
SCHEMBL1728735 0.81 DRD4 (0.49) SLC6A7GRIN1GRIN2BDRD4HTR1A
SCHEMBL1727895 0.81 EGLN1 (0.43) AOC3DRD4HTR1AHTR2ASLC6A4
SCHEMBL1728079 0.80 DRD2 (0.42) AOC3DRD4HTR1AHTR2ADRD3
SCHEMBL1729147 0.80 MGLL (0.43) AOC3DRD4HTR1AHTR2ASLC6A4

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed