SCHEMBL4751012

SCHEMBL4751012

O=C(OCc1nccn1Cc1ccccc1)N1CCN(Cc2cccnc2NCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.46
OPRK1 P41145 4/20 0.46
FNTA P49354 6/20 0.43
FNTB P49356 6/20 0.43
PGGT1B P53609 6/20 0.43
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GRIN2B Q13224 2/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.40
MPI P34949 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39

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 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4753314 0.74 NPSR1 (0.46) OPRD1OPRK1FNTAFNTBPGGT1B
SCHEMBL4751009 0.72 APP (0.50) ALDH1A1KDM4EMAPTNPC1HTT
SCHEMBL4857441 0.71 MEN1 (0.64) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4799893 0.70 LMNA (0.50) ALDH1A1MAPTNPC1POLB
SCHEMBL13982579 0.70 KDM4E (0.52) ALDH1A1KDM4EMAPTKMT2ATDP1
SCHEMBL17485677 0.67 KDM4E (0.74) ALDH1A1GRIN2BKDM4EMAPTKMT2A
SCHEMBL13150170 0.67 KDM4E (0.60) FNTAFNTBPGGT1BALDH1A1GRIN2B
SCHEMBL20353636 0.66 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL8263854 0.65 ALDH1A1 (0.55) OPRD1OPRK1FNTAFNTBPGGT1B

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