SCHEMBL9224958

SCHEMBL9224958

CCCCCCC(CC)NCC=Cc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KCNH2 Q12809 2/20 0.42
CACNA1F O60840 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
PTGS2 P35354 2/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ESR1 P03372 1/20 0.36
LMNA P02545 4/20 0.35

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
SCHEMBL9224447 0.89 NPC1 (0.41) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL10645281 0.79 NPC1 (0.48) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL9226360 0.78 NPC1 (0.42) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL9624560 0.77 KDM4E (0.48) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL9225307 0.76 NR3C1 (0.38) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL9625827 0.76 KDM4E (0.50) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL9624807 0.75 KDM4E (0.49) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL9624842 0.75 PTGS2 (0.48) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL9624979 0.75 ADRB3 (0.61) NPC1RAB9AKCNH2CACNA1FCHRM2
SCHEMBL9624818 0.75 ADRB3 (0.61) NPC1RAB9AKCNH2CACNA1FCHRM2

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-0484378-B1 ANTIARRHYTHMIC TERTIARY AMINE-ALKENYL-PHENYL-ALKANESULFONAMIDES UPJOHN CO (US) 1994-09-14 EP claimed
EP-0484378-A1 ANTIARRHYTHMIC TERTIARY AMINE-ALKENYL-PHENYL-ALKANESULFONAMIDES. UPJOHN CO (US) 1992-05-13 EP claimed
WO-1991001299-A1 ANTIARRHYTHMIC TERTIARY AMINE-ALKENYL-PHENYL-ALKANESULFONAMIDES THE UPJOHN COMPANY (US) 1991-02-07 WO claimed
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