SCHEMBL7948614

SCHEMBL7948614

COc1ccc2c(c1)NCC2C(=O)C(=O)N(C)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGES O14684 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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 0.86 POLB (0.36) POLBALDH1A1MAPTL3MBTL1EPHX2
SCHEMBL7947164 0.85 PLA2G2A (0.37) POLBALDH1A1MAPTL3MBTL1EPHX2
SCHEMBL7951889 0.84 KMT2A (0.41) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7986761 0.84 HTT (0.36) POLBALDH1A1KDM4EUSP2HPGD
SCHEMBL7945107 0.84 POLB (0.36) POLBALDH1A1MAPTL3MBTL1EPHX2
SCHEMBL7948016 0.84 POLB (0.38) POLBALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL7946077 0.83 POLB (0.35) POLBALDH1A1MAPTL3MBTL1EPHX2
SCHEMBL7969135 0.82 BCHE (0.38) NPC1RAB9A
SCHEMBL7947094 0.82 POLB (0.37) POLBALDH1A1KDM4EMAPTEPHX2
SCHEMBL7969073 0.82 MTNR1B (0.35) POLBALDH1A1KDM4EHPGDPTGDR2

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