SCHEMBL9416157

SCHEMBL9416157

CCOc1ccccc1OCCNCCc1ccc(C)c(S(N)(=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 7/20 0.54
▸ ADRA1D P25100 6/20 0.54
▸ ADRA1B P35368 6/20 0.54
▸ ADRB2 P07550 4/20 0.54
▸ HTR1A P08908 4/20 0.54
▸ DRD2 P14416 3/20 0.54
▸ DRD3 P35462 3/20 0.54
▸ ADRB1 P08588 2/20 0.54
▸ ADRA2A P08913 2/20 0.54
▸ ADRA2B P18089 2/20 0.54
▸ ADRA2C P18825 2/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ HTR2B P41595 2/20 0.54
▸ KCNH2 Q12809 2/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ DRD1 P21728 1/20 0.51

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
Hydrochloric Acid SCHEMBL9123221 0.99 ADRA1A (0.53) ADRA1AADRA1DADRA1BADRB2HTR1A
SCHEMBL9416152 0.91 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRB2HTR1A
Hydrochloric Acid SCHEMBL9124065 0.90 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRB2HTR1A
SCHEMBL14301033 0.88 ADRA1A (0.70) ADRA1AADRA1DADRA1BADRB2HTR1A
Hydrochloric Acid SCHEMBL9125870 0.84 GAA (0.53) ADRA1AADRB2HTR1ADRD2DRD3
SCHEMBL9416163 0.82 ADRB2 (0.65) ADRA1AADRA1DADRA1BADRB2HTR1A
SCHEMBL12453523 0.82 ADRA1A (0.80) ADRA1AADRA1DADRA1BADRB2HTR1A
Hydrochloric Acid SCHEMBL9123410 0.81 ADRB2 (0.64) ADRA1AADRA1DADRA1BADRB2HTR1A
SCHEMBL9125314 0.80 ADRB2 (0.73) ADRA1AADRA1DADRA1BADRB2HTR1A
SCHEMBL11473050 0.79 ADRB2 (0.85) ADRA1AADRA1DADRA1BADRB2HTR1A

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-0585067-A1 Use of certain sulfamoyl-substituted phenethylamine derivatives to reverse drug-induced mydriasis ALCON LABORATORIES, INC. (US) 1994-03-02 — — EP claimed
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