SCHEMBL4753349

SCHEMBL4753349

Cc1cccc(CCCOC(=O)N2CCN(Cc3cccnc3Br)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MPI P34949 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
CTSB P07858 1/20 0.41
LMNA P02545 1/20 0.39
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
GAA P10253 1/20 0.38
HRH2 P25021 2/20 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
SCHEMBL4753147 0.95 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMAPTMPI
SCHEMBL4750996 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMAPTMPI
SCHEMBL4751015 0.82 MAPT (0.43) ALDH1A1KDM4EKMT2AMAPTMPI
SCHEMBL4753160 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AL3MBTL1MEN1
SCHEMBL4753325 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMAPTMPI
SCHEMBL4750772 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMAPTMPI
SCHEMBL4751027 0.80 APP (0.42) ALDH1A1KDM4EKMT2AMAPTMPI
SCHEMBL4753111 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMAPTMPI
SCHEMBL4751026 0.78 MAPT (0.41) ALDH1A1KDM4EKMT2AMAPTMPI
SCHEMBL4751028 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMAPTTDP1

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