SCHEMBL4753126

SCHEMBL4753126

O=C(O)N1CCN(Cc2cccnc2NCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
APP P05067 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A7 Q99884 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
PRKAA2 P54646 1/20 0.43
MDM2 Q00987 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 2/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL4751009 0.88 APP (0.50) ALDH1A1KDM4EAPPSMN1; SMN2MAPT
SCHEMBL4857441 0.83 MEN1 (0.64) ALDH1A1KDM4ESMN1; SMN2SLC6A7MEN1
SCHEMBL4751012 0.80 OPRD1 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13982579 0.79 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4752749 0.76 NPSR1 (0.46) KDM4EAPPSMN1; SMN2MEN1KMT2A
SCHEMBL4754240 0.76 KDM4E (0.50) ALDH1A1KDM4EAPPSMN1; SMN2MEN1
SCHEMBL4799893 0.76 LMNA (0.50) ALDH1A1APPSMN1; SMN2TP53MAPT
SCHEMBL25233763 0.74 APP (0.44) ALDH1A1KDM4EAPPSMN1; SMN2KMT2A
SCHEMBL2850013 0.73 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL25232053 0.73 APP (0.43) ALDH1A1KDM4EAPPSMN1; SMN2KMT2A

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 claimed