SCHEMBL8780811

SCHEMBL8780811

CCN(CCCOc1ccc(Cl)cc1C(C)=O)CCCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AGER Q15109 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
SCHEMBL8780796 0.97 KDM4E (0.41) MAOBHTR2AHTR2CMAPTKDM4E
SCHEMBL8780841 0.86 ALDH1A1 (0.43) MAOBHTR2AHTR2CKDM4EALDH1A1
SCHEMBL8780758 0.85 LMNA (0.56) MAOBMAPTKDM4EALDH1A1LMNA
SCHEMBL8780875 0.80 ALDH1A1 (0.45) MAOBHTR2AHTR2CKDM4EALDH1A1
SCHEMBL8780829 0.80 RIPK2 (0.43) MAOBMAPTKDM4ETSHRMCHR1
SCHEMBL8780993 0.79 THRA (0.40) MAOBHTR2AHTR2CKDM4EALDH1A1
SCHEMBL8780837 0.77 L3MBTL1 (0.45) MAOBLMNAMCHR1
SCHEMBL8780779 0.77 KCNH2 (0.51) MAOBALDH1A1SMN1; SMN2
SCHEMBL8780768 0.76 ALDH1A1 (0.38) KDM4EALDH1A1LMNASMN1; SMN2BRD4
SCHEMBL8780919 0.74 HRH3 (0.41) MAOBKDM4EMCHR1

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