SCHEMBL7951901

SCHEMBL7951901

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC1CCCCC1)[C@@H](CCCN)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CACNA1B Q00975 2/20 0.32
CPB2 Q96IY4 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL7951899 0.85 HTRA1 (0.37) CTSLCACNA1BMAPTMMP1MMP2
SCHEMBL7948614 0.76 POLB (0.40) NPC1RAB9APOLBMAPT
SCHEMBL7992034 0.75 F2 (0.33) CPB2
SCHEMBL7947164 0.74 PLA2G2A (0.37) NPC1RAB9APOLBMAPT
SCHEMBL7948256 0.73 CPB2 (0.36) CPB2
SCHEMBL7946077 0.72 POLB (0.35) NPC1RAB9APOLBMAPTMMP1
SCHEMBL7938360 0.72 POLB (0.36) NPC1RAB9APOLBMAPT
SCHEMBL7947094 0.72 POLB (0.37) NPC1RAB9APOLBMAPTMMP1
SCHEMBL7948016 0.71 POLB (0.38) NPC1RAB9APOLBMAPTMMP3
SCHEMBL7945107 0.71 POLB (0.36) NPC1RAB9APOLBMAPT

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