SCHEMBL7986076

SCHEMBL7986076

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
BCHE P06276 1/20 0.34
EPHX1 P07099 1/20 0.33
PKM P14618 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL7945088 0.89 HDAC1 (0.38) HDAC1HDAC6KCNH2CYP2D6SLC6A2
SCHEMBL7944087 0.88 BCHE (0.37) HDAC1HDAC6KCNH2CYP2D6SLC6A2
SCHEMBL7944573 0.86 TDP1 (0.37) KCNH2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7980536 0.85 PTGDR2 (0.35) HDAC1HDAC6SLC6A2SLC6A4PKM
SCHEMBL7969135 0.83 BCHE (0.38) KCNH2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7938770 0.82 L3MBTL1 (0.38) KCNH2SLC6A2SLC6A4ALDH1A1
SCHEMBL7971749 0.80 KDM4E (0.35) KCNH2EPHX1PTGDR2EPHX2ALDH1A1
SCHEMBL7947592 0.80 RAB9A (0.36) KCNH2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7947140 0.80 PKM (0.37) HDAC1HDAC6CYP2D6PKMF2
SCHEMBL7938183 0.77 ALDH1A1 (0.37) KCNH2ALDH1A1F2PRMT5WDR77

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