SCHEMBL8780781

SCHEMBL8780781

CN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
FDPS P14324 1/20 0.44
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR5A P47898 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LSS P48449 2/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G7 Q13093 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL8780990 0.88 KCNH2 (0.39) LTA4HSMN1; SMN2KCNH2MCHR1
SCHEMBL8780868 0.88 MAOB (0.41) FDPSKDM4EALDH1A1HPGDKCNH2
SCHEMBL8781036 0.87 KDM4E (0.44) KDM4ESMN1; SMN2RXFP1LSSKMT2A
SCHEMBL8780892 0.86 RXFP1 (0.42) RXFP1KMT2AKCNH2MCHR1
SCHEMBL8781032 0.86 KDM4E (0.38) LTA4HKDM4ESMN1; SMN2RXFP1KMT2A
SCHEMBL8781045 0.85 MAOB (0.49) LTA4HKDM4EALDH1A1LSS
SCHEMBL8780927 0.84 KCNH2 (0.58) SMN1; SMN2HPGDLSSKMT2AKCNH2
SCHEMBL8780850 0.83 KCNH2 (0.59) LTA4HSMN1; SMN2ALDH1A1HPGDKCNH2
SCHEMBL8780768 0.82 ALDH1A1 (0.38) LTA4HKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL8780867 0.81 KCNH2 (0.43) SMN1; SMN2KCNH2MCHR1

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