SCHEMBL5249138

SCHEMBL5249138

CC(=O)OC1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
POLB P06746 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 5/20 0.58
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NPY2R P49146 1/20 0.56
CYP2C9 P11712 2/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 1/20 0.48
PANK3 Q9H999 1/20 0.48
CYP2C19 P33261 1/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 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
SCHEMBL26640038 0.85 MAPT (0.73) MAPTPOLBL3MBTL1MAPK1ALDH1A1
SCHEMBL12639913 0.84 L3MBTL1 (0.72) MAPTPOLBL3MBTL1MAPK1ALDH1A1
SCHEMBL16053248 0.81 MAPT (0.46) MAPTPOLBL3MBTL1MAPK1ALDH1A1
SCHEMBL27950762 0.81 MAPT (0.70) MAPTPOLBALDH1A1LMNACYP2C9
SCHEMBL852804 0.80 MAPT (0.74) MAPTPOLBL3MBTL1MAPK1ALDH1A1
SCHEMBL2395226 0.80 MAPT (0.59) MAPTPOLBL3MBTL1MAPK1ALDH1A1
SCHEMBL3208590 0.80 MAPT (0.66) MAPTPOLBL3MBTL1MAPK1ALDH1A1
SCHEMBL29772128 0.80 MAPT (0.62) MAPTPOLBL3MBTL1MAPK1ALDH1A1
SCHEMBL2791114 0.80 MAPT (0.66) MAPTPOLBL3MBTL1MAPK1ALDH1A1
SCHEMBL17654114 0.80 MAPT (0.66) MAPTPOLBL3MBTL1MAPK1ALDH1A1

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
WO-2014140241-A1 PYRIDINE DERIVATIVES AS DGAT-1 INHIBITORS INTERVET INTERNATIONAL B.V. (NL) 2014-09-18 WO disclosed
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