SCHEMBL8780993

SCHEMBL8780993

CCN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(C(C)=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDR P35968 1/20 0.40
MCHR1 Q99705 6/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HIF1A Q16665 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
BIRC5 O15392 1/20 0.35
MAOB P27338 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAOA P21397 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN1A P35498 1/20 0.34
KCNH2 Q12809 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
SCHEMBL8780837 0.86 L3MBTL1 (0.45) MCHR1MAOBLMNASCN1ASCN2A
SCHEMBL8780841 0.85 ALDH1A1 (0.43) MCHR1KMT2AALDH1A1HTR2AHTR2C
SCHEMBL8780783 0.84 HTR1D (0.41) MCHR1KMT2AALDH1A1HTR2CBIRC5
SCHEMBL8780758 0.82 LMNA (0.56) MCHR1ALDH1A1MAOBKDM4ELMNA
SCHEMBL8780796 0.81 KDM4E (0.41) MCHR1ALDH1A1HTR2AHTR2CBIRC5
SCHEMBL8780802 0.80 L3MBTL1 (0.44) THRATHRBALDH1A1MAOBKDM4E
SCHEMBL8780875 0.79 ALDH1A1 (0.45) MCHR1KMT2AALDH1A1HTR2AHTR2C
SCHEMBL8780892 0.79 RXFP1 (0.42) MCHR1KMT2AKCNH2HRH3
Hydrochloric Acid SCHEMBL8781133 0.79 L3MBTL1 (0.43) THRATHRBALDH1A1MAOBKDM4E
SCHEMBL8780811 0.79 MAOB (0.41) MCHR1ALDH1A1HTR2AHTR2CMAOB

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