SCHEMBL11082691

SCHEMBL11082691

COc1ccccc1OCCNC(C)C(O)c1ccc(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 8/20 0.59
▸ ADRB2 P07550 8/20 0.59
▸ ADRA1D P25100 7/20 0.59
▸ ADRA1B P35368 7/20 0.59
▸ DRD2 P14416 4/20 0.59
▸ DRD3 P35462 4/20 0.59
▸ ADRB1 P08588 4/20 0.59
▸ HTR1A P08908 3/20 0.59
▸ ADRA2A P08913 2/20 0.59
▸ ADRA2B P18089 2/20 0.59
▸ ADRA2C P18825 2/20 0.59
▸ HTR2A P28223 2/20 0.59
▸ HTR2B P41595 2/20 0.59
▸ KCNH2 Q12809 2/20 0.59
▸ SLC6A4 P31645 1/20 0.59
▸ HRH1 P35367 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ HTR7 P34969 1/20 0.59
▸ OPRM1 P35372 1/20 0.59
▸ DRD1 P21728 2/20 0.46

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
SCHEMBL11086849 0.95 ADRA1A (0.67) ADRA1AADRB2ADRA1DADRA1BDRD2
Hydrochloric Acid SCHEMBL9127458 0.94 ADRA1A (0.66) ADRA1AADRB2ADRA1DADRA1BDRD2
SCHEMBL11083181 0.92 ADRB2 (0.71) ADRA1AADRB2ADRA1DADRA1BDRD2
SCHEMBL10952370 0.88 ADRA1A (0.59) ADRA1AADRB2ADRA1DADRA1BDRD2
Hydrochloric Acid SCHEMBL9124684 0.87 ADRA1A (0.58) ADRA1AADRB2ADRA1DADRA1BDRD2
SCHEMBL11474908 0.86 ADRA1A (0.46) ADRA1AADRB2ADRA1DADRA1BDRD2
SCHEMBL10953622 0.83 ADRA1A (0.67) ADRA1AADRB2ADRA1DADRA1BDRD2
SCHEMBL11480800 0.82 ADRA1A (0.47) ADRA1AADRB2ADRA1DADRA1BDRD2
SCHEMBL11471245 0.82 ADRB2 (0.85) ADRA1AADRB2ADRA1DADRA1BDRD2
Hydrochloric Acid SCHEMBL9122629 0.82 ADRA1A (0.66) ADRA1AADRB2ADRA1DADRA1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034432-B1 SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS, CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1984-04-25 — — EP claimed
US-4217305-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-08-12 — — US disclosed
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