SCHEMBL4313368

SCHEMBL4313368

O=C(C(=O)N(CC(=O)N1CCCC1)CC1CCCCC1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPK14 Q16539 2/20 0.42
POLB P06746 1/20 0.40
ADRA1D P25100 2/20 0.39
RAB9A P51151 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL3120950 0.88 ALDH1A1 (0.40) ALDH1A1MAPK14ADRA1DRAB9ADRD2
SCHEMBL4304078 0.85 MAPK14 (0.43) ALDH1A1MAPK14HDAC1HDAC6DRD2
SCHEMBL7949180 0.85 ALDH1A1 (0.55) ALDH1A1HPGDMAPK14MAPTL3MBTL1
SCHEMBL4308534 0.84 ADRA1D (0.43) ALDH1A1HPGDMAPK14ADRA1DDRD2
SCHEMBL4312756 0.83 HDAC1 (0.47) ALDH1A1RAB9AHDAC1HDAC6MAPT
SCHEMBL4310271 0.83 ALDH1A1 (0.41) ALDH1A1MAPK14DRD2HTR2AHTR7
SCHEMBL3121013 0.82 ALDH1A1 (0.40) ALDH1A1MAPK14DRD2HTR2AHTR7
SCHEMBL4306692 0.80 HDAC1 (0.42) ALDH1A1RAB9AHDAC1HDAC6MAPT
SCHEMBL7982425 0.80 PKM (0.43) ALDH1A1MAPK14HDAC1HDAC6MAPT
SCHEMBL4312470 0.79 ALDH1A1 (0.42) ALDH1A1MAPK14POLBHDAC1HDAC6

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