SCHEMBL8553978

SCHEMBL8553978

CN1Cc2ccccc2C(c2ccc(O)cc2)N=C1CCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.83
SCN5A Q14524 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LIPG Q9Y5X9 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
SCHEMBL8554877 0.96 KCNH2 (0.77) KCNH2SCN5AESR1ESR2
SCHEMBL8553316 0.95 KCNH2 (0.83) KCNH2SCN5A
SCHEMBL8554712 0.91 KCNH2 (1.00) KCNH2SCN5A
SCHEMBL8555810 0.91 KCNH2 (1.00) KCNH2SCN5A
SCHEMBL8556398 0.91 KCNH2 (1.00) KCNH2SCN5A
Hydrochloric Acid SCHEMBL8864652 0.91 KCNH2 (0.69) KCNH2SCN5A
SCHEMBL8557736 0.88 KCNH2 (0.83) KCNH2SCN5A
SCHEMBL8864698 0.83 KCNH2 (0.83) KCNH2SCN5A
SCHEMBL8554225 0.83 KCNH2 (0.83) KCNH2SCN5A
Hydrochloric Acid SCHEMBL8864716 0.82 KCNH2 (0.81) KCNH2SCN5A

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 8 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
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