SCHEMBL5252144

SCHEMBL5252144

CC(=O)OC1CCN(c2ncc([N+](=O)[O-])cc2C)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.49
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 7/20 0.44
POLB P06746 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TRPV1 Q8NER1 2/20 0.39
RHOA P61586 1/20 0.38
NPY2R P49146 1/20 0.38
ACACB O00763 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL16467020 0.85 OPRK1 (0.50) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL16467021 0.83 ALDH1A1 (0.50) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL3541202 0.81 MAPT (0.58) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL801074 0.81 ALDH1A1 (0.59) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL5252865 0.81 OPRK1 (0.46) OPRK1ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL3544895 0.79 OPRK1 (0.47) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL3544900 0.79 OPRK1 (0.47) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL13009734 0.79 OPRK1 (0.52) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL5249138 0.79 MAPT (0.67) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL25199087 0.78 HTT (0.64) OPRK1ALDH1A1MAPK1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN disclosed
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