SCHEMBL27731978

SCHEMBL27731978

CC(=O)N1CCN(c2ccc(NC(=O)n3nccc3NC(=O)c3cccc(OC(F)F)c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 6/20 0.53
PKM P14618 2/20 0.53
RAB9A P51151 5/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.49
NAMPT P43490 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.47
QSOX1 O00391 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL27732009 0.92 HTT (0.58) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL27711760 0.91 MAPT (0.52) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL27711764 0.88 MAPT (0.58) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL27731981 0.83 MAPT (0.59) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL4501702 0.82 DGAT1 (0.59) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL27732011 0.79 MAPT (0.72) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL18737412 0.76 MAPT (0.79) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL4506516 0.75 HTT (0.59) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL27732014 0.74 MAPT (0.51) MAPTALDH1A1KDM4ENPC1PKM
SCHEMBL27732017 0.72 NAMPT (0.45) MAPTALDH1A1KDM4ENPC1PKM

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
CN-101243058-A * oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-08-13 CN claimed
CN-101243058-A * oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-08-13 CN disclosed