SCHEMBL7938405

SCHEMBL7938405

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)N1CCOCC1)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34

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
SCHEMBL7969073 0.93 MTNR1B (0.35) POLBALDH1A1KMT2AKDM4EMEN1
SCHEMBL7948263 0.93 HPGD (0.36) POLBMMP1MMP2MMP3MMP8
SCHEMBL7947285 0.93 HPGD (0.36) POLBMMP1MMP2MMP3MMP8
SCHEMBL7938408 0.85 CYP2C9 (0.43) POLBGAAMMP2MMP8MMP13
SCHEMBL7993224 0.85 MEN1 (0.42) POLBHTTCYP3A4CYP2C19ALDH1A1
SCHEMBL7947164 0.84 PLA2G2A (0.37) POLBL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL7938360 0.84 POLB (0.36) POLBL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL7945107 0.83 POLB (0.36) POLBL3MBTL1ALDH1A1
SCHEMBL7948016 0.83 POLB (0.38) POLBMMP3L3MBTL1HTTCYP3A4
SCHEMBL7946077 0.82 POLB (0.35) POLBMMP1MMP2MMP3L3MBTL1

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