SCHEMBL2012888

SCHEMBL2012888

CN(C(=O)c1cccc2cccnc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.62
HCRTR2 O43614 2/20 0.62
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
EGLN1 Q9GZT9 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PADI4 Q9UM07 3/20 0.38
HRH3 Q9Y5N1 2/20 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
SCHEMBL2015844 1.00 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9AEGLN1
SCHEMBL2010789 0.90 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AEGLN1
SCHEMBL2017423 0.90 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2012874 0.90 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AEGLN1
SCHEMBL2012875 0.90 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AEGLN1
SCHEMBL2012853 0.89 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2015191 0.89 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9AKMT2A
SCHEMBL2015171 0.88 HCRTR1 (0.60) HCRTR1HCRTR2NPC1RAB9AEGLN1
SCHEMBL2012487 0.87 HCRTR1 (0.61) HCRTR1HCRTR2NPC1RAB9AMEN1
SCHEMBL2010795 0.86 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9APADI4

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