SCHEMBL2011103

SCHEMBL2011103

CN(C(=O)c1ccc2[nH]ccc2c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
EPHX2 P34913 1/20 0.44
KMT2A Q03164 6/20 0.41
PADI4 Q9UM07 1/20 0.40
PADI2 Q9Y2J8 1/20 0.40
MEN1 O00255 4/20 0.40
ALOX15 P16050 1/20 0.39
MAPK14 Q16539 2/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL2012111 1.00 CTNNB1 (0.48) CTNNB1WNT3AHCRTR1HCRTR2EPHX2
SCHEMBL2012361 0.93 HCRTR1 (0.46) CTNNB1WNT3AHCRTR1HCRTR2EPHX2
SCHEMBL13138986 0.93 HCRTR1 (0.46) CTNNB1WNT3AHCRTR1HCRTR2EPHX2
SCHEMBL13138952 0.88 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138976 0.88 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138970 0.84 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138994 0.84 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2011137 0.83 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2APADI4
SCHEMBL2011138 0.83 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2APADI4
SCHEMBL2015295 0.83 HCRTR1 (0.46) CTNNB1WNT3AHCRTR1HCRTR2EPHX2

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