SCHEMBL2015051

SCHEMBL2015051

Cc1cc2nnc(C(=O)N(C)C(CCNC(=O)c3cccn3C)Cc3ccccc3)c(C)n2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.56
HCRTR2 O43614 2/20 0.56
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
PDE5A O76074 2/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PADI4 Q9UM07 3/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2015659 0.87 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2013001 0.82 HCRTR1 (0.56) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL2011910 0.81 HCRTR1 (0.69) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL2011292 0.79 HCRTR1 (0.56) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2054210 0.79 HCRTR1 (0.60) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL2054212 0.79 HCRTR1 (0.60) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL13139060 0.79 HCRTR1 (0.77) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL13139102 0.79 HCRTR1 (0.71) HCRTR1HCRTR2NPC1RAB9AHRH3
SCHEMBL2012839 0.78 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2017387 0.78 HCRTR1 (0.71) 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