SCHEMBL27731981

SCHEMBL27731981

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
ALDH1A1 P00352 5/20 0.59
USP2 O75604 3/20 0.59
HSD17B10 Q99714 2/20 0.59
KMT2A Q03164 2/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HIF1A Q16665 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 3/20 0.53
NPC1 O15118 3/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
PKM P14618 1/20 0.47
MEN1 O00255 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
SCHEMBL27711760 0.92 MAPT (0.52) MAPTALDH1A1USP2HSD17B10KMT2A
SCHEMBL27732009 0.91 HTT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL27732011 0.85 MAPT (0.72) MAPTALDH1A1USP2HSD17B10KMT2A
SCHEMBL27731978 0.83 MAPT (0.54) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4517518 0.81 MAPT (0.60) MAPTALDH1A1USP2HSD17B10KMT2A
SCHEMBL27711764 0.81 MAPT (0.58) MAPTALDH1A1USP2HSD17B10KMT2A
SCHEMBL27732014 0.77 MAPT (0.51) MAPTALDH1A1USP2HSD17B10KMT2A
SCHEMBL15979566 0.76 GFER (0.59) MAPTALDH1A1USP2HSD17B10KMT2A
SCHEMBL4506770 0.74 DGAT1 (0.59) MAPTALDH1A1USP2HSD17B10KMT2A
SCHEMBL27731980 0.74 DGAT1 (0.51) MAPTALDH1A1USP2HSD17B10KMT2A

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