SCHEMBL27732014

SCHEMBL27732014

CC(=O)N1CCN(c2ccc(NC(=O)n3nccc3NC(=O)c3ccc(C)s3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
NAMPT P43490 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
PDE7A Q13946 1/20 0.45
PKM P14618 1/20 0.45
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL27732011 0.80 MAPT (0.72) MAPTALDH1A1L3MBTL1KDM4ENAMPT
SCHEMBL4504505 0.79 DGAT1 (0.61) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL27731981 0.77 MAPT (0.59) MAPTALDH1A1KDM4EALOX15NAMPT
SCHEMBL27711760 0.76 MAPT (0.52) MAPTALDH1A1KDM4EALOX15NAMPT
SCHEMBL27731982 0.76 MAPT (0.57) MAPTALDH1A1KDM4EGAAALOX15
SCHEMBL27732097 0.75 NAMPT (0.47) MAPTALDH1A1KDM4EGAAALOX15
SCHEMBL27732009 0.75 HTT (0.58) MAPTALDH1A1L3MBTL1KDM4ENAMPT
SCHEMBL27731978 0.74 MAPT (0.54) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL27731980 0.74 DGAT1 (0.51) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL27731984 0.73 LMNA (0.53) MAPTALDH1A1L3MBTL1KDM4EGAA

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