SCHEMBL9228481

SCHEMBL9228481

CCN(CCCCCC(C)O)C(=O)CC(=O)Cc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CACNA1F O60840 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.38
CCR5 P51681 1/20 0.37

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
SCHEMBL9625149 0.89 CACNA1F (0.50) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9228476 0.82 CACNA1F (0.46) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9625631 0.74 KDM4E (0.58) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9218456 0.73 KCNH2 (0.83) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9224529 0.73 CACNA1F (0.43) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL13545194 0.70 KDM4E (0.59) KDM4ELMNAHPGDALDH1A1HTT
SCHEMBL9225020 0.69 KCNH2 (0.56) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL8899350 0.69 KCNH2 (0.46) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9225025 0.69 KCNH2 (0.56) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL6560601 0.69 HPGD (0.58) KDM4ELMNAHPGDALDH1A1HTT

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
US-5405997-A Stable against rapid metabolism THE UPJOHN COMPANY (US) 1995-04-11 US disclosed
EP-0484378-B1 ANTIARRHYTHMIC TERTIARY AMINE-ALKENYL-PHENYL-ALKANESULFONAMIDES UPJOHN CO (US) 1994-09-14 EP disclosed
EP-0484378-A1 ANTIARRHYTHMIC TERTIARY AMINE-ALKENYL-PHENYL-ALKANESULFONAMIDES. UPJOHN CO (US) 1992-05-13 EP disclosed
WO-1991001299-A1 ANTIARRHYTHMIC TERTIARY AMINE-ALKENYL-PHENYL-ALKANESULFONAMIDES THE UPJOHN COMPANY (US) 1991-02-07 WO disclosed