SCHEMBL7948263

SCHEMBL7948263

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)N1CCCC1)CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1B P49286 2/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CES2 O00748 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
SCHEMBL7947285 1.00 HPGD (0.36) HPGDSMN1; SMN2MTNR1BKMT2AALDH1A1
SCHEMBL7969073 0.98 MTNR1B (0.35) HPGDSMN1; SMN2MTNR1BKMT2AALDH1A1
SCHEMBL7938405 0.93 FKBP1A (0.38) KMT2AALDH1A1POLBMEN1L3MBTL1
SCHEMBL7947164 0.87 PLA2G2A (0.37) KMT2AALDH1A1POLBMEN1L3MBTL1
SCHEMBL7938360 0.86 POLB (0.36) KMT2AALDH1A1POLBMEN1L3MBTL1
SCHEMBL7982224 0.86 RAB9A (0.34) KMT2AALDH1A1MEN1
SCHEMBL7948016 0.86 POLB (0.38) SMN1; SMN2KMT2AALDH1A1POLBMEN1
SCHEMBL7945107 0.86 POLB (0.36) ALDH1A1POLBL3MBTL1PTGDR2
SCHEMBL7946077 0.85 POLB (0.35) KMT2AALDH1A1POLBMEN1L3MBTL1
SCHEMBL7937873 0.84 HTR2A (0.41) KMT2AALDH1A1POLB

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