SCHEMBL5162886

SCHEMBL5162886

CN(C)c1ccc(NC(=O)N(CCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 3/20 0.60
ALOX15 P16050 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
RAB9A P51151 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
MCL1 Q07820 1/20 0.60
NPY5R Q15761 1/20 0.55
NOX1 Q9Y5S8 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5160873 0.86 MAPT (0.57) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5163048 0.84 ALDH1A1 (0.58) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5160351 0.83 EPHX2 (0.46) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5160387 0.82 ALDH1A1 (0.50) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5157973 0.82 ALDH1A1 (0.50) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5160381 0.82 ALDH1A1 (0.50) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5158077 0.78 ALDH1A1 (0.48) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL29140944 0.75 NPY5R (0.78) ALDH1A1MAPTNPY5RMEN1KMT2A
SCHEMBL4333356 0.74 KMT2A (0.55) ALDH1A1SMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL8992691 0.72 NPY5R (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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-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