SCHEMBL4753314

SCHEMBL4753314

O=C(OCc1ccccc1)N1CCN(Cc2cccnc2Nc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MPI P34949 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
GRIN2B Q13224 4/20 0.45
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 3/20 0.43
KDM4E B2RXH2 3/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4752749 0.85 NPSR1 (0.46) NPSR1PKMMAPTKMT2ANPC1
SCHEMBL4753342 0.84 MAPT (0.49) NPSR1ALDH1A1MAPTKMT2ANPC1
SCHEMBL4754202 0.84 MAPT (0.44) NPSR1ALDH1A1MAPTKMT2ANPC1
SCHEMBL4750763 0.83 ADORA3 (0.44) NPSR1ALDH1A1MAPTKMT2ANPC1
SCHEMBL4751031 0.83 POLB (0.49) NPSR1ALDH1A1MAPTKMT2ANPC1
SCHEMBL4750973 0.82 MAPT (0.45) NPSR1PKMALDH1A1MAPTKMT2A
SCHEMBL13982544 0.80 NPSR1 (0.42) NPSR1PKMALDH1A1MAPTKMT2A
SCHEMBL4751010 0.80 MAPT (0.44) NPSR1ALDH1A1MAPTKMT2ANPC1
SCHEMBL4750997 0.80 MAPT (0.42) NPSR1PKMALDH1A1MAPTKMT2A
SCHEMBL4753123 0.80 CHRM3 (0.46) NPSR1ALDH1A1MAPTKMT2ANPC1

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