SCHEMBL2360964

SCHEMBL2360964

CN(C(=O)O)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTR7 P34969 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.46
SLC6A9 P48067 1/20 0.46
HTR1A P08908 1/20 0.45
WDR5 P61964 2/20 0.44
SERPINE1 P05121 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2360963 1.00 HTT (0.54) HTTALDH1A1SMN1; SMN2HTR7TDP1
SCHEMBL21245790 0.87 HTT (0.50) HTTALDH1A1SMN1; SMN2HTR7TDP1
SCHEMBL2331277 0.81 HTR7 (0.55) HTTALDH1A1SMN1; SMN2HTR7TDP1
SCHEMBL2331268 0.81 HTR7 (0.55) HTTALDH1A1SMN1; SMN2HTR7TDP1
SCHEMBL18688423 0.80 ALDH1A1 (0.51) HTTALDH1A1SMN1; SMN2HTR7TDP1
SCHEMBL31439298 0.79 MAPT (0.52) HTTALDH1A1SMN1; SMN2HTR7TDP1
SCHEMBL20569350 0.79 SLC6A9 (0.58) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL2360962 0.78 MAPT (0.52) HTTALDH1A1SMN1; SMN2HTR7TDP1
SCHEMBL28901655 0.78 SLC6A9 (0.48) HTTALDH1A1SMN1; SMN2HTR7SLC6A9
SCHEMBL22465912 0.78 GAA (0.61) HTTALDH1A1SMN1; SMN2HTR7MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed