SCHEMBL5305294

SCHEMBL5305294

[NH]c1cc(Cl)c(N2CCOCC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.42
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
GPR55 Q9Y2T6 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
CNR2 P34972 2/20 0.37
RAB9A P51151 1/20 0.37
RAD51 Q06609 1/20 0.37
PRKDC P78527 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3548981 0.80 MAPT (0.62) MAPTGAASMN1; SMN2MAPK1ALDH3A1
SCHEMBL4164690 0.73 MAPT (0.47) MAPTGAASMN1; SMN2MAPK1THRB
SCHEMBL3546898 0.73 MAPT (0.51) MAPTSMN1; SMN2CYP1A2KDM4ERAB9A
SCHEMBL23555248 0.72 CRHR1 (0.44) MAPTGAASMN1; SMN2MAPK1ALDH3A1
SCHEMBL29932002 0.69 MAPT (0.46) MAPTGAASMN1; SMN2MAPK1ALDH3A1
SCHEMBL12989805 0.69 ALDH1A1 (0.40) MAPTGAASMN1; SMN2MAPK1ALDH3A1
SCHEMBL23536336 0.69 MAPT (0.46) MAPTGAASMN1; SMN2MAPK1ALDH3A1
SCHEMBL26608200 0.69 KMT2A (0.49) MAPTMAPK1CYP1A2CYP2D6RAB9A
SCHEMBL3541882 0.69 MAPT (0.49) MAPTGAASMN1; SMN2MAPK1RAB9A
SCHEMBL1199782 0.68 MAPT (0.45) MAPTGAASMN1; SMN2MAPK1GPR55

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-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed