SCHEMBL9630022

SCHEMBL9630022

CCN(CCc1ccc(N)cc1)CCc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.54
▸ MAPT P10636 1/20 0.50
▸ KCNH2 Q12809 4/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ MAOB P27338 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ PSMD14 O00487 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL3161700 0.96 GFER (0.54) GFERMAPTKCNH2CHRM2HTR1A
SCHEMBL22403770 0.88 KCNH2 (0.66) GFERMAPTKCNH2CHRM2HTR1A
SCHEMBL9624160 0.88 KCNH2 (0.62) MAPTKCNH2CHRM2HTR1AADRA2A
SCHEMBL18789268 0.86 GFER (0.65) GFERMAPTMAOBMAOACYP19A1
SCHEMBL7211656 0.85 DRD2 (0.55) GFERMAPTDRD1ADRA1AOPRM1
SCHEMBL27554765 0.84 MAOB (0.55) MAPTKCNH2CHRM2HTR1AADRA2A
SCHEMBL17539703 0.84 MAOB (0.55) MAPTKCNH2CHRM2HTR1AADRA2A
SCHEMBL11133065 0.84 KCNH2 (0.52) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL12156482 0.83 KCNH2 (0.60) GFERMAPTKCNH2CHRM2HTR1A
SCHEMBL5632446 0.82 KCNH2 (0.56) GFERMAPTKCNH2CHRM2HTR1A

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
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