SCHEMBL2012172

SCHEMBL2012172

CN(C(=O)c1cccc2c1ccn2C)C(CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.47
HCRTR1 O43613 2/20 0.47
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
ROCK1 Q13464 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2012170 1.00 HCRTR2 (0.47) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2010776 0.86 HCRTR1 (0.47) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL13138941 0.86 EPHX2 (0.48) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2011272 0.85 HCRTR1 (0.62) HCRTR2HCRTR1HDAC3HDAC1
SCHEMBL6919279 0.83 HCRTR1 (0.45) HCRTR2HCRTR1ROCK1HDAC3HDAC1
SCHEMBL2014608 0.83 EPHX2 (0.49) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2010959 0.83 EPHX2 (0.45) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2015188 0.83 EPHX2 (0.45) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2053851 0.82 HCRTR1 (0.53) HCRTR2HCRTR1EPHX2KMT2AALOX15
SCHEMBL2016308 0.82 HCRTR1 (0.53) HCRTR2HCRTR1EPHX2KMT2AALOX15

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
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO claimed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed