SCHEMBL2011419

SCHEMBL2011419

CN(C(=O)c1ccc2c(c1)nnn2C)C(CCNC(=O)c1cccn1C)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.64
HCRTR2 O43614 2/20 0.64
POLB P06746 3/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HCAR3 P49019 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.39
AHR P35869 1/20 0.39
PADI4 Q9UM07 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2015950 0.86 HCRTR1 (0.70) HCRTR1HCRTR2POLBRAB9ANPC1
SCHEMBL2013242 0.86 HCRTR1 (0.70) HCRTR1HCRTR2POLBRAB9ANPC1
SCHEMBL2012638 0.85 HCRTR1 (0.64) HCRTR1HCRTR2RAB9ANPC1HPGD
SCHEMBL2015002 0.85 HCRTR1 (0.69) HCRTR1HCRTR2RAB9ANPC1PADI4
SCHEMBL2013098 0.85 HCRTR1 (0.66) HCRTR1HCRTR2POLBRAB9ANPC1
SCHEMBL2017845 0.85 HCRTR1 (0.68) HCRTR1HCRTR2RAB9ANPC1PADI4
SCHEMBL2014120 0.85 HCRTR1 (0.68) HCRTR1HCRTR2RAB9ANPC1PADI4
SCHEMBL2010961 0.85 HCRTR1 (0.64) HCRTR1HCRTR2RAB9ANPC1ALDH1A1
SCHEMBL13139060 0.84 HCRTR1 (0.77) HCRTR1HCRTR2RAB9ANPC1KMT2A
SCHEMBL2011513 0.83 HCRTR1 (0.66) HCRTR1HCRTR2RAB9ANPC1PADI4

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