SCHEMBL9503520

SCHEMBL9503520

Cc1ccc(C(O)CNCC2CCc3ccccc3C2=O)cc1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.49
ADRB1 P08588 5/20 0.49
ADRA1A P35348 3/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9503443 1.00 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
SCHEMBL9503449 1.00 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
SCHEMBL9501859 1.00 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
SCHEMBL9501855 1.00 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
Hydrochloric Acid SCHEMBL9134505 0.99 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
Hydrochloric Acid SCHEMBL9134508 0.99 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
Hydrochloric Acid SCHEMBL9135276 0.99 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
Hydrochloric Acid SCHEMBL9135272 0.99 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
Hydrochloric Acid SCHEMBL9133808 0.99 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A
SCHEMBL9505712 0.88 ADRB2 (0.49) ADRB2ADRB1ADRA1AHTR1AADRA2A

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-0549668-A1 ANTI-HYPERTENSIVE TETRALINS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-07 EP claimed
WO-1992005143-A1 ANTI-HYPERTENSIVE TETRALINS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO claimed