SCHEMBL4750973

SCHEMBL4750973

CC(C)CCCOC(=O)N1CCN(Cc2cccnc2Nc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MPI P34949 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSB P07858 1/20 0.41
PPIA P62937 1/20 0.39
POLB P06746 1/20 0.38
SLC6A15 Q9H2J7 2/20 0.38
HRH1 P35367 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
KCNH2 Q12809 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
SCHEMBL4753342 0.90 MAPT (0.49) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4754202 0.84 MAPT (0.44) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4751015 0.84 MAPT (0.43) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4753314 0.82 NPSR1 (0.46) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4750763 0.82 ADORA3 (0.44) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4751031 0.82 POLB (0.49) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4750997 0.82 MAPT (0.42) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4751010 0.82 MAPT (0.44) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4753123 0.82 CHRM3 (0.46) MAPTMPIKMT2ANPSR1MEN1
SCHEMBL4752749 0.80 NPSR1 (0.46) MAPTMPIKMT2ANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO claimed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed