SCHEMBL9625588

SCHEMBL9625588

CCCCCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 1.00
CACNA1F O60840 1/20 1.00
CHRM2 P08172 1/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
CHRM3 P20309 1/20 1.00
HTR2A P28223 1/20 1.00
SLC6A4 P31645 1/20 1.00
DRD3 P35462 1/20 1.00
CACNA1D Q01668 1/20 1.00
CACNA1S Q13698 1/20 1.00
CACNA1C Q13936 1/20 1.00
LMNA P02545 2/20 0.49
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GLA P06280 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
Ibutilide SCHEMBL3719856 1.00 KCNH2 (1.00) KCNH2CACNA1FCHRM2ADRA2BADRA2C
Ibutilide SCHEMBL16373 1.00 KCNH2 (1.00) KCNH2CACNA1FCHRM2ADRA2BADRA2C
Ibutilide SCHEMBL29761428 1.00 KCNH2 (1.00) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9624685 0.99 KCNH2 (0.98) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9226333 0.96 KCNH2 (0.93) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL15741320 0.93 KCNH2 (0.86) KCNH2CACNA1FCHRM2ADRA2BADRA2C
Ibutilide SCHEMBL1649397 0.92 KCNH2 (0.85) KCNH2CACNA1FCHRM2ADRA2BADRA2C
Ibutilide SCHEMBL15540420 0.92 KCNH2 (0.85) KCNH2CACNA1FCHRM2ADRA2BADRA2C
Ibutilide SCHEMBL42073 0.92 KCNH2 (0.85) KCNH2CACNA1FCHRM2ADRA2BADRA2C
Ibutilide SCHEMBL42074 0.92 KCNH2 (0.85) KCNH2CACNA1FCHRM2ADRA2BADRA2C

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
EP-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP claimed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP claimed
US-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed
EP-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP disclosed