SCHEMBL1728057

SCHEMBL1728057

CNC(=O)CN(CCN1CCN(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
KCNA5 P22460 2/20 0.40
RET P07949 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
CHRM4 P08173 2/20 0.38
PPARD Q03181 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL1729203 0.91 GRIN1 (0.42) MCHR1HTR1ADRD4HTR2ASLC6A4
SCHEMBL1729043 0.90 EGLN1 (0.41) HRH2HRH1HTR1ADRD4HTR2A
SCHEMBL1729017 0.88 DRD3 (0.42) MCHR1HRH2HRH1HTR1ADRD4
SCHEMBL1728997 0.86 DRD2 (0.42) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL1729330 0.84 MCHR1 (0.41) MCHR1HRH2HRH1HTR1ADRD4
SCHEMBL1729085 0.84 RET (0.41) HRH2HRH1HTR1ADRD4HTR2A
SCHEMBL1730213 0.83 DRD4 (0.47) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL13136653 0.81 SLC6A4 (0.46) MCHR1HRH2HRH1HTR1ADRD4
SCHEMBL1727526 0.80 HRH2 (0.47) MCHR1HRH2HRH1HTR1ADRD4
SCHEMBL1728819 0.79 SLC6A7 (0.43) HTR1ADRD4HTR2ASLC6A4DRD3

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