SCHEMBL5160150

SCHEMBL5160150

CN(C)c1ccc(CNC(=O)[C@H](CNC(=O)CCC(=O)O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 3/20 0.46
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CNR2 P34972 1/20 0.42
EPHX2 P34913 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41

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
SCHEMBL5158187 0.93 MEN1 (0.48) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL5160354 0.87 MEN1 (0.59) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL5160878 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL5159894 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL5163056 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL5160205 0.77 F7 (0.59) KMT2AALDH1A1GAAKDM4EHPGD
SCHEMBL6443377 0.77 CTSK (0.55)
SCHEMBL6443393 0.74 CTSK (0.43) MEN1KMT2AGAAKDM4ECNR2
SCHEMBL6411176 0.71 F7 (0.57) KMT2AALDH1A1
SCHEMBL5162891 0.71 ALDH1A1 (0.56) MEN1KMT2AALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP claimed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO claimed
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed