SCHEMBL9632507

SCHEMBL9632507

COc1ccc(F)cc1OCCNCCc1ccc(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.53
▸ DRD2 P14416 3/20 0.53
▸ DRD3 P35462 3/20 0.53
▸ DRD1 P21728 1/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ HTR1A P08908 5/20 0.53
▸ SLC6A4 P31645 3/20 0.53
▸ ADRA1A P35348 7/20 0.51
▸ ADRA1D P25100 6/20 0.51
▸ ADRA1B P35368 6/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ ADRA2A P08913 2/20 0.51
▸ ADRA2B P18089 2/20 0.51
▸ ADRA2C P18825 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ HTR2B P41595 2/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ CA12 O43570 2/20 0.47

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
SCHEMBL9632035 0.94 ADRB2 (0.54) ADRB2DRD2DRD3DRD1DRD4
SCHEMBL9632729 0.93 ADRB2 (0.51) ADRB2DRD2DRD3DRD1DRD4
SCHEMBL9416163 0.90 ADRB2 (0.65) ADRB2DRD2DRD3DRD1DRD4
Hydrochloric Acid SCHEMBL9123410 0.89 ADRB2 (0.64) ADRB2DRD2DRD3DRD1DRD4
SCHEMBL9633205 0.87 ADRA1A (0.61) ADRB2DRD2DRD3HTR1ASLC6A4
SCHEMBL14301033 0.85 ADRA1A (0.70) ADRB2DRD2DRD3DRD1DRD4
SCHEMBL9634047 0.83 ADRA1D (0.55) ADRB2DRD2DRD3HTR1ASLC6A4
SCHEMBL9632519 0.83 ADRA1D (0.59) ADRB2DRD2DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9632456 0.82 ADRA1D (0.58) ADRB2DRD2DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9633345 0.82 ADRA1D (0.54) ADRB2DRD2DRD3HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 — — EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 — — US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 — — EP disclosed
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