SCHEMBL7948016

SCHEMBL7948016

CNC(=O)CN(CC1CCCCC1)C(=O)C(=O)C1CNc2cc(OC)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
EPHX2 P34913 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MITF O75030 2/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP3 P08254 1/20 0.35
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7951886 0.91 MITF (0.45) POLBEPHX2NPC1RAB9AMITF
SCHEMBL7947094 0.91 POLB (0.37) POLBEPHX2NPC1RAB9AMITF
SCHEMBL7946743 0.91 MITF (0.45) POLBEPHX2NPC1RAB9AMITF
SCHEMBL7947062 0.91 MITF (0.43) POLBEPHX2NPC1RAB9AMITF
SCHEMBL7947164 0.89 PLA2G2A (0.37) POLBEPHX2NPC1RAB9AMEN1
SCHEMBL7951892 0.89 POLB (0.39) POLBEPHX2NPC1RAB9AMITF
SCHEMBL7938360 0.88 POLB (0.36) POLBEPHX2NPC1RAB9AMEN1
SCHEMBL7982206 0.88 POLB (0.36) POLBEPHX2NPC1RAB9AMITF
SCHEMBL7998793 0.87 MITF (0.41) POLBEPHX2NPC1RAB9AMITF
SCHEMBL7993224 0.87 MEN1 (0.42) POLBEPHX2NPC1RAB9AMITF

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