SCHEMBL8780783

SCHEMBL8780783

CCN(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.39
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
BIRC5 O15392 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36

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
SCHEMBL8780892 0.86 RXFP1 (0.42) KMT2AKCNH2MCHR1
SCHEMBL8780758 0.85 LMNA (0.56) HTR1DHTR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL8780993 0.84 THRA (0.40) ALDH1A1KMT2AKDM4EKCNH2MCHR1
SCHEMBL8780946 0.83 ADORA2A (0.43) KMT2AKDM4EKCNH2MCHR1
SCHEMBL8780841 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMCHR1BIRC5
SCHEMBL8780909 0.80 KCNH2 (0.42) KMT2AKCNH2MCHR1
SCHEMBL8780829 0.80 RIPK2 (0.43) KMT2AKDM4EKCNH2MCHR1
SCHEMBL8780789 0.80 ADORA2A (0.41) KMT2AKDM4EKCNH2MCHR1
SCHEMBL8780998 0.79 SLC6A4 (0.42) KMT2AKCNH2MCHR1POLB
SCHEMBL8780798 0.79 BCHE (0.50) L3MBTL1KMT2AKDM4EKCNH2MCHR1

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