SCHEMBL1729330

SCHEMBL1729330

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
KCNA5 P22460 1/20 0.39
CASR P41180 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CHRNA7 P36544 1/20 0.37
SCN9A Q15858 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL1727872 0.92 CASR (0.42) MCHR1DRD2DRD3HTR1ADRD4
SCHEMBL1730370 0.91 CNR1 (0.44) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1728079 0.89 DRD2 (0.42) MCHR1DRD2DRD3HTR1ADRD4
SCHEMBL1727691 0.87 CNR1 (0.41) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1727866 0.84 CNR1 (0.44) MCHR1DRD2DRD3HTR1ADRD4
SCHEMBL1728057 0.84 MCHR1 (0.42) MCHR1DRD3HTR1ADRD4HTR2A
SCHEMBL1727730 0.84 MAPT (0.46) DRD2DRD4CASRMEN1KMT2A
SCHEMBL1727718 0.82 CNR1 (0.47) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1729203 0.81 GRIN1 (0.42) MCHR1DRD3HTR1ADRD4HTR2A
SCHEMBL1727992 0.80 CASR (0.41) 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