SCHEMBL7986761

SCHEMBL7986761

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36
OPRK1 P41145 1/20 0.36
PAX8 Q06710 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7938360 0.90 POLB (0.36) POLBALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7992668 0.89 SIGMAR1 (0.45)
SCHEMBL7945107 0.87 POLB (0.36) POLBALDH1A1MAPTL3MBTL1
SCHEMBL7946077 0.86 POLB (0.35) HTTPOLBALDH1A1MAPTL3MBTL1
SCHEMBL7947164 0.85 PLA2G2A (0.37) POLBALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7951892 0.85 POLB (0.39) HTTMITFOPRK1PAX8POLB
SCHEMBL7948614 0.84 POLB (0.40) POLBALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7948016 0.84 POLB (0.38) HTTMITFOPRK1PAX8POLB
SCHEMBL7946743 0.82 MITF (0.45) HTTMITFOPRK1PAX8POLB
SCHEMBL7969073 0.82 MTNR1B (0.35) POLBALDH1A1KDM4EHPGDMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed