SCHEMBL4347795

SCHEMBL4347795

COc1ccc2c(C(=O)C(=O)N(CCN3CCNCC3)C(C(=O)Nc3cccc(O)c3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 3/20 0.38
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
CASR P41180 2/20 0.35
ACKR3 P25106 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
SCHEMBL3943428 0.91 MET (0.44) MAPTALDH1A1L3MBTL1ALOX15KDM4E
SCHEMBL4211749 0.90 ACKR3 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4345582 0.88 HTR4 (0.45) HTR4MAPTALDH1A1L3MBTL1ALOX15
SCHEMBL4353016 0.88 HTR4 (0.45) HTR4MAPTALDH1A1L3MBTL1ALOX15
SCHEMBL3943966 0.82 RAB9A (0.43) HTR4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3941054 0.81 MAPT (0.49) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3941048 0.81 MAPT (0.49) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4036176 0.81 ACKR3 (0.44) HTR4ALDH1A1KMT2AMETPOLB
SCHEMBL3940683 0.80 MAPT (0.50) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3942936 0.79 MAPT (0.47) 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 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