SCHEMBL2014316

SCHEMBL2014316

CN(C(=O)c1cn2cc(Cl)ccc2n1)C(CCNC(=O)c1cccn1C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.55
HCRTR2 O43614 2/20 0.55
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
OPRM1 P35372 1/20 0.39
EGLN1 Q9GZT9 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
USP30 Q70CQ3 1/20 0.35
PADI4 Q9UM07 3/20 0.35
GFER P55789 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
METTL3 Q86U44 2/20 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
SCHEMBL2014229 0.90 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AOPRM1
SCHEMBL2015404 0.85 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9AOPRM1
SCHEMBL2017397 0.84 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9AOPRM1
SCHEMBL2014309 0.84 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9AOPRM1
SCHEMBL2016530 0.83 HCRTR1 (0.60) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL2053648 0.83 HCRTR1 (0.60) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL2012177 0.83 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AOPRM1
SCHEMBL2049210 0.81 HCRTR1 (0.68) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL2013519 0.81 HCRTR1 (0.68) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL2010539 0.81 HCRTR1 (0.63) HCRTR1HCRTR2NPC1RAB9AHRH3

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