SCHEMBL4631071

SCHEMBL4631071

CN(C)NC(=O)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC1 Q13547 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CYP2C19 P33261 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM1A O60341 2/20 0.46
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.45
SCN5A Q14524 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
SCHEMBL8019823 0.89 CA1 (0.44) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL8366537 0.85 MEN1 (0.50) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL4631143 0.85 OPRD1 (0.53) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL2468207 0.84 ALDH1A1 (0.60) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL2467789 0.83 KMT2A (0.58) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL3555689 0.82 MEN1 (0.49) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL5372999 0.82 CHRM5 (0.60) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL4630856 0.82 MEN1 (0.49) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL2330941 0.81 MEN1 (0.56) MEN1KMT2ANPSR1HDAC1HDAC6
SCHEMBL16639868 0.81 SMN1; SMN2 (0.59) MEN1KMT2ANPSR1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
EP-1156049-B1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2005-06-01 EP disclosed
EP-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed