SCHEMBL8780856

SCHEMBL8780856

Cn1c(CCCNCCc2ccc(NS(C)(=O)=O)cc2)cc(=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.50
GRIN2B Q13224 4/20 0.50
KCNH2 Q12809 3/20 0.50
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GNRHR P30968 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KAT2B Q92831 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
BRPF1 P55201 1/20 0.39

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
SCHEMBL8780936 0.83 KCNH2 (0.54) GRIN1GRIN2BKCNH2ALDH1A1KDM4E
SCHEMBL8780780 0.82 KCNH2 (0.42) GRIN1GRIN2BKCNH2ALDH1A1KDM4E
SCHEMBL8780808 0.82 TAAR1 (0.45) ALDH1A1HPGDSMN1; SMN2TAAR1RXFP1
SCHEMBL8780747 0.81 KDM4E (0.42) GRIN1GRIN2BKCNH2ALDH1A1KDM4E
SCHEMBL8780896 0.81 KCNH2 (0.42) GRIN1GRIN2BKCNH2ALDH1A1KDM4E
SCHEMBL8780944 0.81 TAAR1 (0.60) ALDH1A1LMNAHPGDSMN1; SMN2TAAR1
SCHEMBL8780864 0.81 KCNH2 (0.44) GRIN1GRIN2BKCNH2ALDH1A1KDM4E
SCHEMBL8780929 0.81 KCNH2 (0.42) GRIN1GRIN2BKCNH2ALDH1A1KDM4E
SCHEMBL8780847 0.80 KCNH2 (0.40) GRIN1GRIN2BKCNH2ALDH1A1ADRB2
SCHEMBL8780894 0.80 KCNH2 (0.44) GRIN1GRIN2BKCNH2ALDH1A1KDM4E

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