SCHEMBL7944575

SCHEMBL7944575

CCOC(=O)CN(C(=O)C(=O)C1CNc2ccccc21)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
PYGL P06737 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 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
SCHEMBL7979068 0.85 PDE2A (0.40) ALDH1A1PYGLL3MBTL1PDE2APDE3B
SCHEMBL7938770 0.85 L3MBTL1 (0.38) ALDH1A1L3MBTL1SLC6A2SLC6A4KCNH2
SCHEMBL7944573 0.84 TDP1 (0.37) ALDH1A1L3MBTL1TP53MAPTSLC6A2
SCHEMBL7946271 0.78 ATM (0.43) ALDH1A1NPC1KCNH2
SCHEMBL7938073 0.75 HRH3 (0.37) ALDH1A1TP53KDM4EMAPTTDP1
SCHEMBL7969135 0.73 BCHE (0.38) NPC1SLC6A2SLC6A4KCNH2
SCHEMBL7947322 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1TP53KDM4EMAPT
SCHEMBL550205 0.72 KCNH2 (0.47) ALDH1A1L3MBTL1KDM4EMAPTKCNH2
SCHEMBL8564051 0.72 KCNH2 (0.47) ALDH1A1L3MBTL1KDM4EMAPTKCNH2
SCHEMBL7969219 0.71 KMT2A (0.34) L3MBTL1TP53ALOX15TDP1

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