SCHEMBL5249656

SCHEMBL5249656

CC(=O)OC1(C)CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
ALDH1A1 P00352 4/20 0.58
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CRBN Q96SW2 3/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PANK3 Q9H999 1/20 0.48
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
NPY2R P49146 1/20 0.46

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
SCHEMBL27708997 0.81 GRIN2D (0.40) MAPTALDH1A1HPGDCRBNKMT2A
SCHEMBL3537802 0.81 MAPT (0.59) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29772128 0.80 MAPT (0.62) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL25447008 0.80 MAPT (0.58) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL647899 0.79 MAPT (0.68) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1724715 0.78 MAPT (0.67) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3546922 0.78 MAPT (0.59) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL5249138 0.78 MAPT (0.67) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3546927 0.78 MAPT (0.59) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL13009753 0.78 MAPT (0.55) MAPTALDH1A1LMNAALOX12NPSR1

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