SCHEMBL2014309

SCHEMBL2014309

Cc1cccn2cc(C(=O)N(C)C(CCNC(=O)c3cccn3C)Cc3ccccc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.57
HCRTR2 O43614 2/20 0.57
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
GFER P55789 1/20 0.37
OPRM1 P35372 1/20 0.37
MAPK1 P28482 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PADI4 Q9UM07 2/20 0.36
METTL3 Q86U44 1/20 0.36
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
SCHEMBL2014229 0.88 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AMAPT
SCHEMBL2012177 0.86 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AKDM4E
SCHEMBL2017397 0.85 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9ATSHR
SCHEMBL2014316 0.84 HCRTR1 (0.55) HCRTR1HCRTR2NPC1RAB9AGFER
SCHEMBL2010539 0.84 HCRTR1 (0.63) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2011001 0.83 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9AMAPT
SCHEMBL2018124 0.82 HCRTR1 (0.55) HCRTR1HCRTR2NPC1RAB9AMEN1
SCHEMBL2015686 0.82 HCRTR1 (0.55) HCRTR1HCRTR2NPC1RAB9AOPRM1
SCHEMBL2013416 0.81 HCRTR1 (0.60) HCRTR1HCRTR2NPC1RAB9AMAPT
SCHEMBL2012310 0.81 HCRTR1 (0.67) 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 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