SCHEMBL9632049

SCHEMBL9632049

COc1cc(F)ccc1OCCNC(C)Cc1ccc(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 13/20 0.78
▸ ADRA1D P25100 12/20 0.78
▸ ADRA1B P35368 12/20 0.78
▸ ADRB2 P07550 2/20 0.78
▸ ADRB1 P08588 2/20 0.78
▸ HTR1A P08908 2/20 0.78
▸ ADRA2A P08913 2/20 0.78
▸ DRD2 P14416 2/20 0.78
▸ ADRA2B P18089 2/20 0.78
▸ ADRA2C P18825 2/20 0.78
▸ HTR2A P28223 2/20 0.78
▸ DRD3 P35462 2/20 0.78
▸ HTR2B P41595 2/20 0.78
▸ KCNH2 Q12809 2/20 0.78
▸ HTR7 P34969 1/20 0.78
▸ OPRM1 P35372 1/20 0.78
▸ SIGMAR1 Q99720 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42

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 SCHEMBL9634081 0.99 ADRA1A (0.77) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL9632850 0.96 ADRA1A (0.75) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL9634096 0.96 ADRA1A (0.75) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL9633722 0.96 ADRA1A (0.75) ADRA1AADRA1DADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL9631950 0.95 ADRA1A (0.74) ADRA1AADRA1DADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL9632447 0.95 ADRA1A (0.74) ADRA1AADRA1DADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL9631937 0.95 ADRA1A (0.74) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL9632960 0.94 ADRA1D (0.85) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL9632026 0.94 ADRA1D (0.76) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL9634103 0.94 ADRA1D (0.82) ADRA1AADRA1DADRA1BADRB2ADRB1

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 6 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 claimed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 — — US claimed
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 claimed
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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