SCHEMBL8553316

SCHEMBL8553316

CN1Cc2ccccc2C(c2ccccc2)N=C1CCc1ccc(O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.83
SCN5A Q14524 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 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
SCHEMBL8554877 0.96 KCNH2 (0.77) KCNH2SCN5A
SCHEMBL8553978 0.95 KCNH2 (0.83) KCNH2SCN5A
SCHEMBL8555810 0.91 KCNH2 (1.00) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8554712 0.91 KCNH2 (1.00) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8556398 0.91 KCNH2 (1.00) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8864652 0.89 KCNH2 (0.69) KCNH2SCN5A
SCHEMBL8554225 0.88 KCNH2 (0.83) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8864698 0.88 KCNH2 (0.83) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8864716 0.87 KCNH2 (0.81) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8557736 0.83 KCNH2 (0.83) KCNH2SCN5ASLC6A2SLC6A4SLC6A3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475527-B1 Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents SANOFI SA (FR) 1998-02-25 EP claimed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US claimed
EP-0475527-A2 Aryl-fused and hetaryl-fused-2, 4-diazepine and 2, 4-diazocine antiarrhythmic agents STERLING DRUG INC. (US) 1992-03-18 EP claimed
EP-0475527-B1 Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents SANOFI SA (FR) 1998-02-25 EP disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP disclosed
EP-0475527-A2 Aryl-fused and hetaryl-fused-2, 4-diazepine and 2, 4-diazocine antiarrhythmic agents STERLING DRUG INC. (US) 1992-03-18 EP disclosed