SCHEMBL8780875

SCHEMBL8780875

CCN(CCOc1ccc(F)cc1C(C)=O)CCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MCHR1 Q99705 1/20 0.41
MAOB P27338 5/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KMT2A Q03164 2/20 0.36
BRPF1 P55201 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
BIRC5 O15392 1/20 0.34

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
SCHEMBL8780841 0.94 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMCHR1MAOB
SCHEMBL8780768 0.85 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL8780758 0.83 LMNA (0.56) ALDH1A1KDM4ELMNAMCHR1MAOB
SCHEMBL8780796 0.83 KDM4E (0.41) ALDH1A1KDM4ELMNAMCHR1MAOB
SCHEMBL8780811 0.80 MAOB (0.41) ALDH1A1KDM4ELMNAMCHR1MAOB
SCHEMBL8780993 0.79 THRA (0.40) ALDH1A1KDM4ELMNAMCHR1MAOB
SCHEMBL8780892 0.77 RXFP1 (0.42) MCHR1HRH3KMT2AADORA2AADORA1
SCHEMBL8780783 0.76 HTR1D (0.41) ALDH1A1KDM4ELMNAMCHR1HTR2C
SCHEMBL8780837 0.74 L3MBTL1 (0.45) LMNAMCHR1MAOBHRH3ADORA2A
SCHEMBL8780946 0.74 ADORA2A (0.43) KDM4EMCHR1MAOBKMT2AADORA2A

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