SCHEMBL9628913

SCHEMBL9628913

CNC(=O)c1ccc(OCCN(C)CCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.76
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
LSS P48449 2/20 0.48
GAA P10253 1/20 0.48
CACNA1F O60840 1/20 0.48
CHRM2 P08172 1/20 0.48
ACHE P22303 1/20 0.48
AGTR1 P30556 1/20 0.48
DRD3 P35462 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
MAOB P27338 1/20 0.48
PLK1 P53350 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 0.87 KCNH2 (1.00) KCNH2GAACACNA1FCHRM2ACHE
SCHEMBL9628896 0.87 KCNH2 (0.80) KCNH2LSSGAAMAOB
SCHEMBL9629107 0.84 KCNH2 (0.54) KCNH2RAB9ACACNA1FCHRM2ACHE
Hydrochloric Acid SCHEMBL9628828 0.79 KCNH2 (0.77) KCNH2RAB9ACACNA1FCHRM2ACHE
SCHEMBL9628048 0.78 KCNH2 (0.80) KCNH2RAB9ACACNA1FCHRM2ACHE
SCHEMBL9630209 0.78 KCNH2 (0.80) KCNH2RAB9ACACNA1FCHRM2ACHE
SCHEMBL9826975 0.78 SIGMAR1 (0.70) KCNH2MAPTRAB9A
SCHEMBL8789805 0.77 KCNH2 (0.83) KCNH2ACHE
SCHEMBL10721560 0.77 KCNH2 (0.57) KCNH2MAPTRAB9AACHE
SCHEMBL6573083 0.76 KCNH2 (0.76) KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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