SCHEMBL4750772

SCHEMBL4750772

Cc1cccc(CCCOCCOC(=O)N2CCN(Cc3cccnc3Nc3ccccc3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MPI P34949 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.37
HTR1A P08908 2/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 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
SCHEMBL4751026 0.91 MAPT (0.41) ALDH1A1KDM4EMAPTKMT2AMPI
SCHEMBL4751015 0.87 MAPT (0.43) ALDH1A1KDM4EMAPTKMT2AMPI
SCHEMBL4753111 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTKMT2AMPI
SCHEMBL4750996 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2AMPI
SCHEMBL4753147 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2AMPI
SCHEMBL4751013 0.83 APP (0.40) ALDH1A1KDM4EMAPTKMT2AMPI
SCHEMBL4751002 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AL3MBTL1USP2
SCHEMBL4753349 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AMPI
SCHEMBL4751027 0.79 APP (0.42) ALDH1A1KDM4EMAPTKMT2AMPI
SCHEMBL4751028 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2ATDP1

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