SCHEMBL8780906

SCHEMBL8780906

Cn1c(CCCNCCOc2ccc(F)cc2)cc(=O)n(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.56
DRD4 P21917 9/20 0.56
DRD3 P35462 9/20 0.56
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
PLA2G7 Q13093 2/20 0.41

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
SCHEMBL8780898 0.88 DRD4 (0.44) DRD2DRD4DRD3
SCHEMBL8780960 0.84 DRD2 (0.59) DRD2DRD4DRD3KMT2ASLC6A4
SCHEMBL8780781 0.81 LTA4H (0.46) POLBKMT2ARXFP1PLA2G7
SCHEMBL8780892 0.79 RXFP1 (0.42) KMT2ARXFP1
SCHEMBL8781036 0.78 KDM4E (0.44) POLBKMT2ARXFP1SLC6A4PLA2G7
SCHEMBL8781032 0.77 KDM4E (0.38) POLBKMT2ARXFP1PLA2G7
SCHEMBL8780886 0.74 CYP1A2 (0.47) TSHRPOLBKMT2ARXFP1
SCHEMBL23067925 0.73 DRD4 (0.76) DRD2DRD4DRD3TSHRHTR1A
SCHEMBL8780944 0.73 TAAR1 (0.60) TSHR
Hydrochloric Acid SCHEMBL8042268 0.71 DRD2 (0.97) DRD2DRD4DRD3TSHR

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