SCHEMBL8555563

SCHEMBL8555563

CCC1=NC(c2ccc(N(CC)CC)cc2)c2ccccc2CN1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.55
SCN5A Q14524 1/20 0.37
MAPT P10636 1/20 0.34
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 6/20 0.33
GHSR Q92847 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8557530 0.85 KCNH2 (0.72) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8555627 0.85 KCNH2 (0.72) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8558645 0.85 KCNH2 (0.72) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8556398 0.71 KCNH2 (1.00) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8554712 0.71 KCNH2 (1.00) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8555810 0.71 KCNH2 (1.00) KCNH2SCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL8554877 0.70 KCNH2 (0.77) KCNH2SCN5A
SCHEMBL8556647 0.69 KCNH2 (0.61) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL8553978 0.69 KCNH2 (0.83) KCNH2SCN5A
SCHEMBL8557736 0.69 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 6 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 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