SCHEMBL9308521

SCHEMBL9308521

CCOC(=O)C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 1/20 0.58
ATM Q13315 1/20 0.50
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 2/20 0.47
PRMT1 Q99873 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9308762 0.87 ALDH1A1 (0.53) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL22251805 0.84 ACE (0.44) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL9311330 0.84 SLC6A4 (0.52) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3310151 0.83 ATM (0.56) MEN1KMT2AKDM4EATMLMNA
SCHEMBL3313145 0.82 ALDH1A1 (0.57) MEN1KMT2AKDM4EATMLMNA
SCHEMBL8913587 0.80 ATM (0.52) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL20676108 0.79 MEN1 (0.56) MEN1KMT2AKDM4EATMLMNA
SCHEMBL22360604 0.78 CYP2D6 (0.56) MEN1KMT2AKDM4EATMLMNA
SCHEMBL26334231 0.78 ATM (0.56) MEN1KMT2AKDM4EATMLMNA
SCHEMBL9309862 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTL3MBTL1

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
US-5308848-A Side effect reduction MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-05-03 US disclosed
EP-0452107-A1 Pyrimidinedione derivatives and antiarrythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-16 EP disclosed