SCHEMBL4750997

SCHEMBL4750997

CC1(C)NCN(CCOC(=O)N2CCN(Cc3cccnc3Nc3cc(Cl)cc(Cl)c3)CC2)CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MPI P34949 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSB P07858 1/20 0.37
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
POLB P06746 1/20 0.36
KCNH2 Q12809 2/20 0.35
LMNA P02545 1/20 0.35
SLC6A15 Q9H2J7 1/20 0.35
EGFR P00533 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
SCHEMBL4753342 0.84 MAPT (0.49) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4750973 0.82 MAPT (0.45) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4754202 0.81 MAPT (0.44) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4753123 0.81 CHRM3 (0.46) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4753314 0.80 NPSR1 (0.46) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4750763 0.79 ADORA3 (0.44) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4751031 0.79 POLB (0.49) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4751010 0.79 MAPT (0.44) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4751015 0.78 MAPT (0.43) MAPTMPIKMT2AHTTNPSR1
SCHEMBL4752749 0.78 NPSR1 (0.46) MAPTMPIKMT2AHTTNPSR1

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-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