SCHEMBL7982224

SCHEMBL7982224

O=C(C(=O)N(CC(=O)N1CCCC1)CC1CCCCC1)C1CNc2cc(F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
NPY5R Q15761 2/20 0.33
PKM P14618 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
ALOX15 P16050 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
VCP P55072 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
SCHEMBL7980536 0.88 PTGDR2 (0.35) RAB9APKMHSD11B1OPRM1OPRD1
SCHEMBL7947285 0.86 HPGD (0.36) MEN1ALDH1A1KMT2A
SCHEMBL7948263 0.86 HPGD (0.36) MEN1ALDH1A1KMT2A
SCHEMBL7982833 0.85 PKM (0.33) RAB9APKMKMT2AOPRM1OPRD1
SCHEMBL7969073 0.85 MTNR1B (0.35) MEN1ALDH1A1KMT2A
SCHEMBL7979149 0.83 NPC1 (0.39) RAB9AMEN1ALDH1A1KMT2ANPSR1
SCHEMBL7969219 0.83 KMT2A (0.34) PKMCHRM3ALOX15MEN1KMT2A
SCHEMBL7938405 0.80 FKBP1A (0.38) CHRM3MEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL7969240 0.80 ALDH1A1 (0.36) RAB9AMEN1ALDH1A1KMT2ANPSR1
SCHEMBL7979470 0.79 MAPK1 (0.36) RAB9AALDH1A1NPSR1

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