SCHEMBL2011775

SCHEMBL2011775

CN(C(=O)c1cnn2cccnc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.58
HCRTR2 O43614 2/20 0.58
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
STING1 Q86WV6 1/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.41
IRAK4 Q9NWZ3 6/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CBLB Q13191 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 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
SCHEMBL6919977 1.00 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9ASTING1
SCHEMBL2016006 0.87 HCRTR1 (0.60) HCRTR1HCRTR2NPC1RAB9AHSD17B10
SCHEMBL2013911 0.84 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9AKDM4E
SCHEMBL2011800 0.84 HCRTR1 (0.60) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2015191 0.84 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2010237 0.84 HCRTR1 (0.58) HCRTR1HCRTR2NPC1RAB9AHSD17B10
SCHEMBL2010795 0.82 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9AMAPT
SCHEMBL2015844 0.82 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2054013 0.82 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9AMAPT
SCHEMBL2012888 0.82 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9A

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