SCHEMBL4751013

SCHEMBL4751013

COc1ccc(CNc2ncccc2CN2CCN(C(=O)OCCOCCCc3cccc(C)n3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PPARG P37231 1/20 0.38
MAPT P10636 2/20 0.38
MPI P34949 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 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
SCHEMBL4751027 0.96 APP (0.42) APPGRIN2BALDH1A1KDM4EMAPT
SCHEMBL4753111 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMPIKMT2A
SCHEMBL4750772 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EPPARGMAPTMPI
SCHEMBL4753147 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EPPARGMAPTMPI
SCHEMBL4750996 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMPIKMT2A
SCHEMBL4751026 0.81 MAPT (0.41) ALDH1A1KDM4EMAPTMPIKMT2A
SCHEMBL4751009 0.77 APP (0.50) APPALDH1A1KDM4EMAPTMAPK8
SCHEMBL4799893 0.77 LMNA (0.50) APPALDH1A1MAPTMAPK8MAPK10
SCHEMBL4753349 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMPIKMT2A
SCHEMBL4751015 0.77 MAPT (0.43) ALDH1A1KDM4EMAPTMPIKMT2A

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