SCHEMBL27732011

SCHEMBL27732011

CC(=O)N1CCN(c2ccc(NC(=O)n3nccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.72
USP2 O75604 2/20 0.72
MAPK1 P28482 2/20 0.72
TP53 P04637 1/20 0.72
HSD17B10 Q99714 1/20 0.72
ALDH1A1 P00352 5/20 0.56
LMNA P02545 3/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HTT P42858 1/20 0.50
NAMPT P43490 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL27731981 0.85 MAPT (0.59) MAPTUSP2MAPK1TP53HSD17B10
SCHEMBL27711760 0.84 MAPT (0.52) MAPTUSP2MAPK1TP53HSD17B10
SCHEMBL27731980 0.82 DGAT1 (0.51) MAPTUSP2MAPK1TP53HSD17B10
SCHEMBL27732014 0.80 MAPT (0.51) MAPTUSP2MAPK1TP53HSD17B10
SCHEMBL27732009 0.79 HTT (0.58) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL4491756 0.79 MAPT (0.75) MAPTUSP2MAPK1TP53HSD17B10
SCHEMBL27731978 0.79 MAPT (0.54) MAPTALDH1A1LMNACYP2C9HPGD
SCHEMBL27711764 0.77 MAPT (0.58) MAPTUSP2MAPK1HSD17B10ALDH1A1
SCHEMBL27731982 0.75 MAPT (0.57) MAPTALDH1A1CYP2C19RAB9ANPC1
SCHEMBL270845 0.75 MAPT (0.74) MAPTUSP2MAPK1TP53HSD17B10

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