SCHEMBL7944882

SCHEMBL7944882

COc1ccc2c(C(=O)C(=O)N(Cc3nc(C)no3)CC3CCCCC3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MTNR1B P49286 2/20 0.43
MTNR1A P48039 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TUBB1 Q9H4B7 2/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX5 P09917 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
ROCK2 O75116 1/20 0.35

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
SCHEMBL4310162 0.90 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1MTNR1BKDM4E
SCHEMBL7947177 0.87 MAPT (0.50) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4456116 0.86 ALDH1A1 (0.49) MAPTALDH1A1L3MBTL1MTNR1BKDM4E
SCHEMBL3122360 0.83 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4307626 0.83 MAPT (0.51) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4566499 0.82 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7948285 0.82 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3129608 0.82 MAPT (0.58) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7945127 0.82 MAPT (0.57) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3124609 0.81 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1KDM4EMEN1

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