SCHEMBL11119385

SCHEMBL11119385

CCC(NCCOc1ccccc1OC)c1ccc(C)c(S(N)(=O)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 6/20 0.67
▸ ADRB2 P07550 4/20 0.67
▸ DRD2 P14416 4/20 0.67
▸ DRD3 P35462 4/20 0.67
▸ ADRB1 P08588 3/20 0.67
▸ HTR1A P08908 3/20 0.67
▸ ADRA2A P08913 2/20 0.67
▸ ADRA2B P18089 2/20 0.67
▸ ADRA2C P18825 2/20 0.67
▸ HTR2A P28223 2/20 0.67
▸ HTR2B P41595 2/20 0.67
▸ KCNH2 Q12809 2/20 0.67
▸ SLC6A4 P31645 1/20 0.67
▸ HRH1 P35367 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ ADRA1D P25100 5/20 0.52
▸ ADRA1B P35368 5/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ CA12 O43570 2/20 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
SCHEMBL11086048 0.91 ADRA1A (0.69) ADRA1AADRB2DRD2DRD3ADRB1
SCHEMBL11083181 0.84 ADRB2 (0.71) ADRA1AADRB2DRD2DRD3ADRB1
SCHEMBL3129437 0.83 ADRA1A (0.68) ADRA1AADRB2DRD2DRD3ADRB1
SCHEMBL9416164 0.82 ADRA1A (0.62) ADRA1AADRB2DRD2DRD3ADRB1
Hydrochloric Acid SCHEMBL9122055 0.81 ADRB2 (0.80) ADRA1AADRB2DRD2DRD3ADRB1
Hydrochloric Acid SCHEMBL9126140 0.81 ADRA1A (0.61) ADRA1AADRB2DRD2DRD3ADRB1
Amosulalol SCHEMBL6509394 0.80 ADRB2 (1.00) ADRA1AADRB2DRD2DRD3ADRB1
Amosulalol SCHEMBL30136493 0.80 ADRB2 (1.00) ADRA1AADRB2DRD2DRD3ADRB1
SCHEMBL10956021 0.80 ADRB2 (0.78) ADRA1AADRB2DRD2DRD3ADRB1
SCHEMBL11013459 0.80 ADRB2 (0.78) ADRA1AADRB2DRD2DRD3ADRB1

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-0034432-B1 SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS, CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1984-04-25 — — EP claimed
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