SCHEMBL4751015

SCHEMBL4751015

Cc1cccc(CCCOC(=O)N2CCN(Cc3cccnc3Nc3cc(Cl)cc(Cl)c3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MPI P34949 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.39
CTSB P07858 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4751026 0.96 MAPT (0.41) MAPTMPIKMT2AHTTMEN1
SCHEMBL4750772 0.87 ALDH1A1 (0.45) MAPTMPIKMT2AHTTMEN1
SCHEMBL4753342 0.86 MAPT (0.49) MAPTMPIKMT2AHTTMEN1
SCHEMBL4751021 0.84 SMN1; SMN2 (0.38) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL4750973 0.84 MAPT (0.45) MAPTMPIKMT2AHTTMEN1
SCHEMBL4753349 0.82 ALDH1A1 (0.47) MAPTMPIKMT2AHTTMEN1
SCHEMBL4750996 0.81 ALDH1A1 (0.45) MAPTMPIKMT2AHTTMEN1
SCHEMBL4754202 0.80 MAPT (0.44) MAPTMPIKMT2AHTTMEN1
SCHEMBL4751027 0.80 APP (0.42) MAPTMPIKMT2AHTTMEN1
SCHEMBL4750763 0.80 ADORA3 (0.44) MAPTMPIKMT2AHTTMEN1

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 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