SCHEMBL11035398

SCHEMBL11035398

CCCCCCCN(CC)CC(O)c1ccc(NS(C)(=O)=O)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
CACNA1F O60840 1/20 0.57
CHRM2 P08172 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
CHRM3 P20309 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
DRD3 P35462 1/20 0.57
CACNA1D Q01668 1/20 0.57
CACNA1S Q13698 1/20 0.57
CACNA1C Q13936 1/20 0.57
ADRB3 P13945 6/20 0.40
TRPV1 Q8NER1 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAD52 P43351 1/20 0.36
CYP19A1 P11511 2/20 0.35
ADRB2 P07550 1/20 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
SCHEMBL9624727 0.88 CACNA1F (0.61) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL11001327 0.87 KCNH2 (0.57) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL10999874 0.85 CACNA1F (0.55) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9624942 0.82 KCNH2 (0.65) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9624814 0.82 KCNH2 (0.82) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9624970 0.82 KCNH2 (0.82) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL10645811 0.81 KCNH2 (0.80) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL9624943 0.78 KCNH2 (0.56) KCNH2CACNA1FCHRM2ADRA2BADRA2C
SCHEMBL11035403 0.76 ADRB3 (0.59) KCNH2CACNA1FCHRM2ADRA2BADRA2C
Methane SCHEMBL10644436 0.75 KCNH2 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP claimed