SCHEMBL9624596

SCHEMBL9624596

CCCCCCCN(CC)CC(O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
CHRM3 P20309 1/20 0.60
HTR2A P28223 1/20 0.60
SLC6A4 P31645 1/20 0.60
DRD3 P35462 1/20 0.60
CACNA1D Q01668 1/20 0.60
KCNH2 Q12809 1/20 0.60
CACNA1S Q13698 1/20 0.60
CACNA1C Q13936 1/20 0.60
MCHR1 Q99705 1/20 0.47
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL10647757 0.84 KCNH2 (0.67) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9624970 0.84 KCNH2 (0.82) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL9624814 0.84 KCNH2 (0.82) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL10645811 0.83 KCNH2 (0.80) CACNA1FCHRM2ADRA2BADRA2CCHRM3
SCHEMBL10644048 0.82 KCNH2 (0.65) CACNA1FCHRM2ADRA2BADRA2CCHRM3
Methane SCHEMBL10644955 0.82 KCNH2 (0.65) CACNA1FCHRM2ADRA2BADRA2CCHRM3
Propane SCHEMBL10645441 0.82 KCNH2 (0.65) CACNA1FCHRM2ADRA2BADRA2CCHRM3
Ethane SCHEMBL10647144 0.82 KCNH2 (0.65) CACNA1FCHRM2ADRA2BADRA2CCHRM3
Methane SCHEMBL10647628 0.82 KCNH2 (0.65) CACNA1FCHRM2ADRA2BADRA2CCHRM3
Methane SCHEMBL10647203 0.81 KCNH2 (0.63) CACNA1FCHRM2ADRA2BADRA2CCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed