SCHEMBL1659172

SCHEMBL1659172

CCOC(=O)C=CC1CC(c2ccccc2OC)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
DRD2 P14416 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.40
DRD4 P21917 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CHRM4 P08173 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1659170 1.00 KMT2A (0.46) KMT2AMEN1DRD2L3MBTL1ALDH1A1
SCHEMBL1659175 1.00 KMT2A (0.46) KMT2AMEN1DRD2L3MBTL1ALDH1A1
SCHEMBL11906034 0.88 MEN1 (0.41) KMT2AMEN1DRD2L3MBTL1DRD4
SCHEMBL11906036 0.88 MEN1 (0.41) KMT2AMEN1DRD2L3MBTL1DRD4
SCHEMBL11906043 0.88 MEN1 (0.41) KMT2AMEN1DRD2L3MBTL1DRD4
SCHEMBL1659510 0.84 MEN1 (0.54) KMT2AMEN1DRD2ALDH1A1DRD4
SCHEMBL1659079 0.75 MEN1 (0.54) KMT2AMEN1DRD2ALDH1A1DRD4
SCHEMBL25177674 0.75 HCAR2 (0.44) L3MBTL1ALDH1A1MAPTNPSR1GAA
SCHEMBL25177675 0.75 HCAR2 (0.44) L3MBTL1ALDH1A1MAPTNPSR1GAA
SCHEMBL11919640 0.73 MEN1 (0.43) KMT2AMEN1DRD2ALDH1A1DRD4

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
EP-2488028-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF Merck Sharp & Dohme Corp. (US) 2012-08-22 EP disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 WO disclosed