SCHEMBL4751011

SCHEMBL4751011

COc1ccc(N2CCN(CC(O)COc3ccccc3C)CC2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
LMNA P02545 6/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 9/20 0.66
ABCB1 P08183 6/20 0.66
ALDH1A1 P00352 3/20 0.61
TP53 P04637 3/20 0.60
MAPK1 P28482 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
KCNH2 Q12809 2/20 0.60
NR1I2 O75469 1/20 0.60
NR3C1 P04150 1/20 0.60
ADRB1 P08588 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
DRD2 P14416 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD1 P21728 1/20 0.60

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
SCHEMBL14355279 0.84 HSP90AB1 (0.56) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7705078 0.84 MEN1 (0.61) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL7705102 0.84 TSHR (0.61) MEN1KMT2ALMNAMAPTABCB1
SCHEMBL7711004 0.84 MAPT (0.57) MEN1KMT2ALMNAMAPTABCB1
Hydrochloric Acid SCHEMBL7711666 0.83 MEN1 (0.63) MEN1KMT2ALMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7711457 0.83 MAPT (0.58) MEN1KMT2ALMNAMAPTABCB1
SCHEMBL7600203 0.82 KMT2A (1.00) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL4753120 0.81 LMNA (0.74) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7708508 0.81 MEN1 (0.81) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL9410198 0.81 MAPT (0.82) MEN1KMT2ALMNAMAPTABCB1

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