SCHEMBL1728079

SCHEMBL1728079

NC(=O)CN(CCN1CCN(c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.39
ABL1 P00519 2/20 0.38
CASR P41180 2/20 0.38
SCN9A Q15858 4/20 0.38
OPRM1 P35372 1/20 0.38
MCHR1 Q99705 2/20 0.37
AOC3 Q16853 1/20 0.37
DAGLB Q8NCG7 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
KCNA5 P22460 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL1727992 0.91 CASR (0.41) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1729806 0.89 CNR1 (0.44) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1729330 0.89 MCHR1 (0.41) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1728979 0.86 HTR1A (0.43) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1729017 0.84 DRD3 (0.42) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1728853 0.84 CNR1 (0.44) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1730286 0.82 CNR1 (0.44) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1727643 0.81 CNR1 (0.47) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1727631 0.81 HTR1A (0.48) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1727872 0.80 CASR (0.42) DRD2DRD3HTR1ADRD4HTR2A

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