SCHEMBL4776901

SCHEMBL4776901

NC(C=O)C(c1ccccc1C(F)(F)F)N1CCN(C(=O)c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.47
EPHX2 P34913 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
SLC9A1 P19634 1/20 0.45
CYP2C19 P33261 1/20 0.45
DPP4 P27487 1/20 0.43
DPP9 Q86TI2 1/20 0.43
HSD11B1 P28845 1/20 0.42
GAA P10253 3/20 0.41
RBP4 P02753 2/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
SFRP1 Q8N474 1/20 0.40
SLC6A7 Q99884 1/20 0.39
SCD O00767 1/20 0.39
POLB P06746 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
SCHEMBL4772658 0.80 CACNA2D1 (0.39) EPHX2CYP2C9CYP2C19CACNA2D1CACNA1B
SCHEMBL4776766 0.73 L3MBTL1 (0.53) L3MBTL1HTTEPHX2CYP2D6CYP2C9
SCHEMBL7943306 0.71 L3MBTL1 (1.00) L3MBTL1HTTEPHX2GAARBP4
SCHEMBL18705011 0.70 L3MBTL1 (0.76) L3MBTL1HTTEPHX2DPP4DPP9
SCHEMBL4753470 0.69 SCD (0.51) CYP2C9CYP2C19HSD11B1SCD
Hydrochloric Acid SCHEMBL17560373 0.68 L3MBTL1 (0.78) L3MBTL1HTTEPHX2GAARBP4
Hydrochloric Acid SCHEMBL3466569 0.68 SCD (0.50) CYP2C9CYP2C19HSD11B1SCD
SCHEMBL31350899 0.68 L3MBTL1 (0.71) L3MBTL1HTTCYP2D6GAACACNA2D1
SCHEMBL7955601 0.68 L3MBTL1 (0.89) L3MBTL1HTTEPHX2GAASMN1; SMN2
SCHEMBL1461593 0.66 L3MBTL1 (0.86) L3MBTL1HTTEPHX2GAARBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed