SCHEMBL7944573

SCHEMBL7944573

CCOC(=O)CN(CC1CCCCC1)C(=O)C(=O)C1CNc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
BCHE P06276 1/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
KCNH2 Q12809 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 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
SCHEMBL7969219 0.87 KMT2A (0.34) TDP1TP53L3MBTL1OPRM1OPRD1
SCHEMBL7986076 0.86 HDAC1 (0.36) BCHEALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7944575 0.84 ALDH1A1 (0.40) TDP1TP53MAPTL3MBTL1ALDH1A1
SCHEMBL7969135 0.80 BCHE (0.38) BCHESLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7945088 0.80 HDAC1 (0.38) BCHEALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7944087 0.79 BCHE (0.37) BCHESLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7945107 0.76 POLB (0.36) MAPTL3MBTL1ALDH1A1
SCHEMBL7947592 0.75 RAB9A (0.36) BCHESLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7947140 0.75 PKM (0.37) CYP2D6OPRM1OPRD1OPRK1
SCHEMBL7938360 0.74 POLB (0.36) MAPTL3MBTL1ALDH1A1

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-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed