SCHEMBL5333413

SCHEMBL5333413

CC(C)COC(=O)N1CCN(c2ccc(C=O)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.52
ALDH3A1 P30838 1/20 0.49
KIT P10721 1/20 0.47
MAPT P10636 6/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 7/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
IDE P14735 1/20 0.40

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
SCHEMBL6225314 0.82 MAPT (0.53) KITMAPTMAPK1HTTALDH1A1
SCHEMBL4941483 0.81 ALDH1A3 (0.57) ALDH1A3ALDH3A1MAPTHTTALDH1A1
SCHEMBL29013170 0.81 GRM5 (0.54) ALDH1A3ALDH3A1SMN1; SMN2MEN1KMT2A
SCHEMBL6225699 0.77 GAA (0.52) KITMAPTMAPK1ALDH1A1LMNA
SCHEMBL3641965 0.76 KIT (0.48) KITMAPTMAPK1HTTALDH1A1
SCHEMBL34467562 0.74 GRM5 (0.52) MAPTMAPK1HTTSMN1; SMN2MEN1
SCHEMBL3554411 0.73 ALDH1A1 (0.57) MAPTMAPK1HTTALDH1A1LMNA
SCHEMBL5245356 0.72 MAPT (0.53) KITMAPTMAPK1HTTALDH1A1
SCHEMBL3804468 0.71 KIT (0.45) KITMAPTMAPK1HTTALDH1A1
SCHEMBL3558471 0.71 MAPT (0.51) KITMAPTMAPK1HTTALDH1A1

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-1858869-A1 ACYLATED PIPERIDINES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed