SCHEMBL4199731

SCHEMBL4199731

CC(C)N(C(=O)CN(CC(=O)O)C(=O)C(=O)c1c[nH]c2cc(F)ccc12)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 4/20 0.37
HTR2A P28223 4/20 0.37
HTR7 P34969 3/20 0.37
KCNH2 Q12809 3/20 0.37
MAPK14 Q16539 2/20 0.35
HTR1A P08908 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
JAK2 O60674 1/20 0.33
CNR2 P34972 1/20 0.33
TDO2 P48775 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
SCHEMBL3945339 0.87 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1DRD2HTR2A
SCHEMBL3944224 0.84 DRD2 (0.48) ALDH1A1MAPTL3MBTL1DRD2HTR2A
SCHEMBL3120950 0.81 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1DRD2HTR2A
SCHEMBL3950113 0.78 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL4347563 0.78 MAPT (0.54) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL4199729 0.78 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1DRD2HTR2A
SCHEMBL4304078 0.77 MAPK14 (0.43) ALDH1A1MAPTL3MBTL1DRD2HTR2A
SCHEMBL3939700 0.76 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1MAPK14HDAC1
SCHEMBL3943864 0.75 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1DRD2HTR2A
SCHEMBL3942488 0.75 RAB9A (0.49) KMT2AHDAC1HDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed