SCHEMBL2012479

SCHEMBL2012479

CN(C(=O)c1cccc2occc12)C(CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
KMT2A Q03164 5/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6919529 1.00 EPHX2 (0.44) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL13138941 0.87 EPHX2 (0.48) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2014608 0.84 EPHX2 (0.49) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2010959 0.83 EPHX2 (0.45) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2015188 0.83 EPHX2 (0.45) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL13139078 0.83 EPHX2 (0.50) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2014644 0.82 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL2015295 0.82 HCRTR1 (0.46) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2012172 0.82 HCRTR2 (0.47) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2012170 0.82 HCRTR2 (0.47) EPHX2HCRTR1HCRTR2KMT2AALOX15

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