SCHEMBL8780796

SCHEMBL8780796

CCN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(Cl)cc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MCHR1 Q99705 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 5/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL8780811 0.97 MAOB (0.41) KDM4EALDH1A1LMNAMCHR1MAPT
SCHEMBL8780841 0.89 ALDH1A1 (0.43) KDM4EALDH1A1LMNAMCHR1MAOB
SCHEMBL8780758 0.88 LMNA (0.56) KDM4EALDH1A1LMNAMCHR1MAPT
SCHEMBL8780829 0.83 RIPK2 (0.43) KDM4EMCHR1MAPTMAOBTSHR
SCHEMBL8780875 0.83 ALDH1A1 (0.45) KDM4EALDH1A1LMNAMCHR1MAOB
SCHEMBL8780993 0.81 THRA (0.40) KDM4EALDH1A1LMNAMCHR1MAOB
SCHEMBL8780837 0.81 L3MBTL1 (0.45) LMNAMCHR1MAOBHRH3
SCHEMBL8780768 0.77 ALDH1A1 (0.38) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8780783 0.77 HTR1D (0.41) KDM4EALDH1A1LMNAMCHR1HTR2C
SCHEMBL8780779 0.77 KCNH2 (0.51) ALDH1A1MAOBSMN1; SMN2

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
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed