SCHEMBL2011495

SCHEMBL2011495

CN(C(=O)c1ccc2ccn(C)c2c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.53
HCRTR2 O43614 2/20 0.53
EPHX2 P34913 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2016308 1.00 HCRTR1 (0.53) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2053851 0.93 HCRTR1 (0.53) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2013395 0.93 HCRTR1 (0.53) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138952 0.87 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138976 0.87 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138994 0.84 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138970 0.84 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2011138 0.83 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2011137 0.83 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2012361 0.82 HCRTR1 (0.46) 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 1 patent. 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 disclosed