SCHEMBL2012361

SCHEMBL2012361

CN(C(=O)c1ccc2cc[nH]c2c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
EPHX2 P34913 1/20 0.44
KMT2A Q03164 6/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
MEN1 O00255 4/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
ALOX15 P16050 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MAPK14 Q16539 1/20 0.39
GHSR Q92847 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
SCHEMBL13138986 1.00 HCRTR1 (0.46) HCRTR1HCRTR2EPHX2KMT2ACTNNB1
SCHEMBL2012111 0.93 CTNNB1 (0.48) HCRTR1HCRTR2EPHX2KMT2ACTNNB1
SCHEMBL2011103 0.93 CTNNB1 (0.48) HCRTR1HCRTR2EPHX2KMT2ACTNNB1
SCHEMBL13138976 0.88 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138952 0.88 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138994 0.84 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138970 0.84 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2011137 0.83 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2011138 0.83 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2010959 0.83 EPHX2 (0.45) HCRTR1HCRTR2EPHX2KMT2AMEN1

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