SCHEMBL7944071

SCHEMBL7944071

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
POLB P06746 3/20 0.36
MMP3 P08254 2/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL7951892 0.90 POLB (0.39) HTTALDH1A1HPGDPOLBNPC1
SCHEMBL7948016 0.87 POLB (0.38) HTTALDH1A1POLBMMP3NPC1
SCHEMBL7969063 0.87 CYP2D6 (0.42) ALDH1A1HPGDPOLB
SCHEMBL7945520 0.86 NPC1 (0.39) ALDH1A1HPGDPOLBMTNR1AMTNR1B
SCHEMBL7982206 0.85 POLB (0.36) HTTALDH1A1HPGDPOLBMMP3
SCHEMBL7951886 0.85 MITF (0.45) HTTALDH1A1HPGDPOLBNPC1
SCHEMBL7947062 0.85 MITF (0.43) HTTALDH1A1HPGDPOLBNPC1
SCHEMBL7947094 0.85 POLB (0.37) HTTALDH1A1POLBMMP3MMP1
SCHEMBL7946743 0.85 MITF (0.45) HTTALDH1A1HPGDPOLBNPC1
SCHEMBL7947164 0.85 PLA2G2A (0.37) ALDH1A1POLBNPC1RAB9AEPHX2

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