SCHEMBL2014746

SCHEMBL2014746

COc1ccnc(C(=O)N(C)C(CCNC(=O)c2cccn2C)Cc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.61
HCRTR2 O43614 2/20 0.61
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PADI4 Q9UM07 3/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CASR P41180 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL2016685 0.91 HCRTR1 (0.66) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2015025 0.87 HCRTR1 (0.70) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2014058 0.86 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2014960 0.86 HCRTR1 (0.69) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL6919067 0.86 HCRTR1 (0.69) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2052690 0.85 HCRTR1 (0.61) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2016348 0.85 HCRTR1 (0.61) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2054319 0.84 HCRTR1 (0.64) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2016237 0.84 HCRTR1 (0.64) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2014558 0.84 HCRTR1 (0.66) 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 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