SCHEMBL5169982

SCHEMBL5169982

CC(=O)NC1(c2ccc(F)c(F)c2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TACR3 P29371 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKT1 P31749 3/20 0.39
REN P00797 6/20 0.39
KCNH2 Q12809 6/20 0.39
CYP3A4 P08684 4/20 0.39
GAA P10253 1/20 0.39
PDE2A O00408 4/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
Formic Acid SCHEMBL3898641 0.95 CYP2C19 (0.41) CYP2C19HTTHDAC3HDAC1HDAC2
SCHEMBL5170508 0.82 ALDH1A1 (0.58) CYP2C19HTTHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL6500497 0.79 DRD2 (0.50) CYP2C19HTTTACR3ALDH1A1AKT1
SCHEMBL5168128 0.79 POLB (0.43) CYP2C19HTTHDAC3HDAC1HDAC2
Formic Acid SCHEMBL3894178 0.78 ALDH1A1 (0.54) CYP2C19HTTHDAC3HDAC1HDAC2
SCHEMBL3898644 0.77 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6AKT1
SCHEMBL2231946 0.77 POLB (0.57) HDAC1ALDH1A1
SCHEMBL9486891 0.77 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC6TACR3
SCHEMBL5726730 0.77 SLC6A2 (0.46) AKT1SLC6A2SLC6A4SLC6A3
SCHEMBL5169120 0.76 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6AKT1

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-1773823-B1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-08-21 EP disclosed
EP-1773823-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed