SCHEMBL3943595

SCHEMBL3943595

COc1cccc2[nH]cc(C(=O)C(=O)N(CC(=O)O)CC(=O)NC3(C4CCCCC4)CCCCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HTR2A P28223 3/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
TACR1 P25103 3/20 0.32
KCNA5 P22460 1/20 0.32

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
SCHEMBL4197711 0.84 RAB9A (0.46) HDAC1
SCHEMBL3943593 0.81 MAPT (0.39) HDAC3HDAC1MTNR1AMTNR1BHTR2A
SCHEMBL4204118 0.77 HDAC1 (0.35) HDAC1L3MBTL1ALDH1A1MAPT
SCHEMBL4211554 0.77 MAPT (0.50) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL3941334 0.76 MAPT (0.49) HDAC3HDAC1MTNR1AMTNR1BL3MBTL1
SCHEMBL3950925 0.75 MAPT (0.51) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL4038220 0.73 ALDH1A1 (0.47) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL3946900 0.73 ALDH1A1 (0.49) HDAC3HDAC1MTNR1AMTNR1BL3MBTL1
SCHEMBL4023069 0.73 MAPT (0.34) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL3943591 0.72 RAB9A (0.39) HDAC3HDAC1MTNR1AMTNR1BL3MBTL1

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