SCHEMBL1728081

SCHEMBL1728081

NC(CN(CC=O)C(=O)O)N1CCN(c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.40
DAGLA Q9Y4D2 5/20 0.37
TGM2 P21980 2/20 0.36
EPHB4 P54760 1/20 0.36
TEK Q02763 1/20 0.36
ABL1 P00519 2/20 0.36
DAGLB Q8NCG7 3/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
PANK3 Q9H999 2/20 0.35
SERPINE1 P05121 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL1727999 0.92 PDE4A (0.40) TGM2ABL1SCN9A
SCHEMBL1729810 0.90 CNR1 (0.42) TGM2HTR1ADRD2DRD4HTR2A
SCHEMBL1729333 0.87 SUCNR1 (0.40) SUCNR1DAGLATGM2EPHB4TEK
SCHEMBL1728983 0.87 CNR1 (0.40) TGM2HTR1ADRD2DRD4HTR2A
SCHEMBL1728857 0.84 CNR1 (0.42) TGM2SCN9AHTR1ADRD2DRD4
SCHEMBL1729020 0.84 SCN10A (0.38) TEKSCN10AHTR1ADRD4HTR2A
SCHEMBL1730290 0.83 CNR1 (0.43)
SCHEMBL1727644 0.81 CNR1 (0.46) TGM2
SCHEMBL1728823 0.81 SLC6A7 (0.44) SCN9A
SCHEMBL1727878 0.79 PDE4A (0.39) TGM2ABL1SCN9A

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