SCHEMBL27732010

SCHEMBL27732010

CC(C)(C(=O)Nc1ccnn1C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
DGAT1 O75907 7/20 0.51
STAT3 P40763 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 4/20 0.47
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.43
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4498080 0.79 DGAT1 (0.79) MAPTSMN1; SMN2LMNAHTTDGAT1
SCHEMBL27731980 0.79 DGAT1 (0.51) MAPTSMN1; SMN2LMNADGAT1CYP2C19
SCHEMBL27711767 0.75 WNT3A (0.56) MAPTSMN1; SMN2LMNAHTTDGAT1
SCHEMBL1399272 0.73 MAPT (0.68) MAPTSMN1; SMN2LMNAHTTDGAT1
SCHEMBL27711811 0.70 RAB9A (0.52) MAPTSMN1; SMN2LMNAHTTDGAT1
SCHEMBL4497793 0.70 DGAT1 (0.82) MAPTSMN1; SMN2LMNAHTTDGAT1
SCHEMBL50482 0.69 MAPT (0.69) MAPTSMN1; SMN2LMNAHTTDGAT1
SCHEMBL27711777 0.68 RAB9A (0.48) MAPTSMN1; SMN2LMNAHTTDGAT1
SCHEMBL29301634 0.68 MAPT (0.61) MAPTSMN1; SMN2LMNAHTTDGAT1
SCHEMBL4247738 0.68 MAPT (0.86) MAPTSMN1; SMN2LMNAHTTDGAT1

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