SCHEMBL7982206

SCHEMBL7982206

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)NCC(F)(F)F)CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
MMP3 P08254 2/20 0.34
EPHX2 P34913 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
MITF O75030 1/20 0.33
OPRK1 P41145 1/20 0.33
PAX8 Q06710 1/20 0.33
KLK7 P49862 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
NQO2 P16083 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL7948016 0.88 POLB (0.38) POLBNPC1RAB9AALDH1A1HTT
SCHEMBL7951892 0.88 POLB (0.39) POLBNPC1RAB9AALDH1A1HTT
SCHEMBL7947062 0.86 MITF (0.43) POLBNPC1RAB9AALDH1A1HTT
SCHEMBL7946743 0.86 MITF (0.45) POLBNPC1RAB9AALDH1A1HTT
SCHEMBL7947094 0.86 POLB (0.37) POLBNPC1RAB9AALDH1A1HTT
SCHEMBL7951886 0.86 MITF (0.45) POLBNPC1RAB9AALDH1A1HTT
SCHEMBL7944071 0.85 HTT (0.40) POLBNPC1RAB9AALDH1A1HTT
SCHEMBL7969063 0.85 CYP2D6 (0.42) POLBALDH1A1HPGDMITFPAX8
SCHEMBL7947164 0.84 PLA2G2A (0.37) POLBNPC1RAB9AALDH1A1EPHX2
SCHEMBL7945520 0.84 NPC1 (0.39) POLBNPC1RAB9AALDH1A1HPGD

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