SCHEMBL4751009

SCHEMBL4751009

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
NPC1 O15118 1/20 0.49
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
FAAH O00519 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ACHE P22303 2/20 0.44
BACE1 P56817 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
BCHE P06276 1/20 0.44
LSS P48449 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4753126 0.88 ALDH1A1 (0.46) APPFAAHKDM4EALDH1A1SMN1; SMN2
SCHEMBL4799893 0.88 LMNA (0.50) APPNPC1MAPK8MAPK10FAAH
SCHEMBL13982579 0.82 KDM4E (0.52) NPC1MAPK10KDM4EALDH1A1SMN1; SMN2
SCHEMBL4753315 0.81 MAPK10 (0.50) MAPK10KDM4EMCHR1ALDH1A1SMN1; SMN2
SCHEMBL4751027 0.79 APP (0.42) APPNPC1MAPK8MAPK10KDM4E
SCHEMBL4751013 0.77 APP (0.40) APPNPC1MAPK8MAPK10KDM4E
SCHEMBL13982678 0.76 APP (0.47) APPNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6630360 0.76 SIGMAR1 (0.69) FAAHKDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL4857441 0.75 MEN1 (0.64) MAPK10KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1715769 0.74 NPC1 (0.66) NPC1KDM4EALDH1A1SMN1; SMN2KLKB1

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 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