SCHEMBL9628896

SCHEMBL9628896

CN(CCOc1ccc(C(N)=O)cc1)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.80
LSS P48449 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
MAOB P27338 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL3929250 0.89 KCNH2 (1.00) KCNH2GAA
SCHEMBL9628913 0.87 KCNH2 (0.76) KCNH2LSSGAAMAOB
SCHEMBL9628264 0.84 KCNH2 (0.58) KCNH2MAOB
SCHEMBL10721556 0.80 KCNH2 (0.62) KCNH2
SCHEMBL6573083 0.80 KCNH2 (0.76) KCNH2
SCHEMBL8789805 0.79 KCNH2 (0.83) KCNH2
SCHEMBL9630223 0.79 ACHE (0.49) KCNH2LSSTSHRGAA
SCHEMBL9053806 0.78 CYP3A4 (0.60) KCNH2
SCHEMBL9628761 0.78 KCNH2 (0.80) KCNH2
SCHEMBL9630209 0.78 KCNH2 (0.80) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164429-B Preparation method of dofetilide intermediate 四川科瑞德凯华制药有限公司 2021-07-23 CN disclosed
EP-0245997-B1 N-SUBSTITUTED P-AMINOETHYLSULPHON ANILIDES AS ANTIARRHYTHMIC AGENTS, AND INTERMEDIATES THEREFOR Pfizer Limited (GB) 1992-04-15 EP disclosed
US-5079248-A Antifibrillatory agents; side effect reduction PFIZER INC. (US) 1992-01-07 US disclosed
US-4959366-A Anti-arrhythmic agents PFIZER INC. (US) 1990-09-25 US disclosed
EP-0245997-A2 N-substituted p-aminoethylsulphon anilides as antiarrhythmic agents, and intermediates therefor Pfizer Limited (GB) 1987-11-19 EP disclosed