SCHEMBL27732015

SCHEMBL27732015

CC(=O)N1CCN(c2ccc(NC(=O)n3nccc3NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
GFER P55789 1/20 0.47
NAMPT P43490 3/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
LMNA P02545 1/20 0.45
PANK3 Q9H999 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GLA P06280 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL27732096 0.91 LMNA (0.56) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL27711774 0.91 LMNA (0.55) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL27732017 0.90 NAMPT (0.45) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
SCHEMBL27711759 0.90 LMNA (0.59) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL27731984 0.88 LMNA (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL27731979 0.87 NAMPT (0.49) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
SCHEMBL4512056 0.79 DGAT1 (0.68) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
SCHEMBL27732011 0.73 MAPT (0.72) ALDH1A1MAPTSMN1; SMN2KDM4ENAMPT
SCHEMBL27731982 0.73 MAPT (0.57) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
SCHEMBL27732014 0.72 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2KDM4EGAA

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