SCHEMBL2015192

SCHEMBL2015192

Cc1nc2occc2cc1C(=O)N(C)C(CCNC(=O)c1cccn1C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

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
PADI4 Q9UM07 3/20 0.36
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
UBE2N P61088 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL2012511 0.87 HCRTR1 (0.64) HCRTR1HCRTR2MAPT
SCHEMBL6917571 0.87 HCRTR1 (0.64) HCRTR1HCRTR2MAPT
SCHEMBL2013106 0.85 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2053258 0.83 HCRTR1 (0.56) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2011082 0.83 HCRTR1 (0.56) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2014992 0.83 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2051297 0.83 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2016148 0.82 HCRTR1 (0.56) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2015866 0.82 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9APADI4
SCHEMBL2015169 0.81 HCRTR1 (0.65) 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