SCHEMBL4360682

SCHEMBL4360682

COc1ccc2c(C(=O)C(=O)N(CCCN3CCCC3)C(C(=O)NC(C)C)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HTR2A P28223 2/20 0.38
TP53 P04637 1/20 0.37
HTR4 Q13639 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 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
SCHEMBL4359243 0.93 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL4345582 0.90 HTR4 (0.45) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3943428 0.88 MET (0.44) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3950110 0.86 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL4362231 0.85 MAPT (0.52) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3950664 0.85 MAPT (0.52) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL4353016 0.83 HTR4 (0.45) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL4347559 0.82 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3951180 0.82 MAPT (0.48) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3941326 0.82 MAPT (0.48) ALDH1A1MAPTL3MBTL1ALOX15KDM4E

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 disclosed