SCHEMBL2010838

SCHEMBL2010838

Cc1noc2ccc(C(=O)N(C)C(CCNC(=O)c3cccn3C)Cc3ccccc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.63
HCRTR2 O43614 2/20 0.63
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.35
PADI4 Q9UM07 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
UBE2N P61088 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2012339 0.94 HCRTR1 (0.63) HCRTR1HCRTR2NPC1RAB9AHDAC3
SCHEMBL2011116 0.86 HCRTR1 (0.64) HCRTR1HCRTR2NPC1RAB9AHDAC3
SCHEMBL2015468 0.84 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AHDAC3
SCHEMBL2015342 0.84 HCRTR1 (0.63) HCRTR1HCRTR2NPC1RAB9AHDAC3
SCHEMBL2011090 0.84 HCRTR1 (0.63) HCRTR1HCRTR2NPC1RAB9AHDAC3
SCHEMBL2010621 0.84 HCRTR1 (0.63) HCRTR1HCRTR2NPC1RAB9AHDAC3
SCHEMBL2013109 0.84 HCRTR1 (0.64) HCRTR1HCRTR2NPC1RAB9AHDAC3
SCHEMBL2015002 0.84 HCRTR1 (0.69) HCRTR1HCRTR2NPC1RAB9AHDAC3
SCHEMBL2015135 0.83 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9ATAS2R8
SCHEMBL2010859 0.83 HCRTR1 (0.66) HCRTR1HCRTR2NPC1RAB9AHDAC3

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