SCHEMBL7951889

SCHEMBL7951889

COc1ccc2c(c1)NCC2C(=O)C(=O)N(C)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
F2 P00734 2/20 0.38
PRSS1 P07477 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ACHE P22303 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL7947322 0.84 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1POLBKDM4E
SCHEMBL7948614 0.84 POLB (0.40) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL7946271 0.81 ATM (0.43) KMT2ANPC1RAB9AALDH1A1POLB
SCHEMBL7979068 0.81 PDE2A (0.40) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL7938360 0.79 POLB (0.36) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL7945535 0.79 KDM4E (0.41) KMT2AALDH1A1MAPTPOLBKDM4E
SCHEMBL7947164 0.78 PLA2G2A (0.37) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL7946579 0.77 HDAC8 (0.38) ALDH1A1KDM4E
SCHEMBL7985982 0.77 KMT2A (0.40) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL7948016 0.76 POLB (0.38) KMT2ANPC1RAB9AALDH1A1MAPT

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