SCHEMBL9503450

SCHEMBL9503450

COc1cc2c(cc1OC)C(=O)C(CNCC(O)c1ccc(C)c(S(N)(=O)=O)c1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
PDE4D Q08499 1/20 0.53
KCNH2 Q12809 1/20 0.53
ADRB3 P13945 1/20 0.37
ACHE P22303 6/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CYP24A1 Q07973 3/20 0.35

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 SCHEMBL9133351 0.99 ADRB2 (0.52) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL9501706 0.90 ADRB2 (0.49) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL9505720 0.90 ADRB2 (0.49) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL9504946 0.90 ADRB2 (0.49) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL9505712 0.90 ADRB2 (0.49) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL9501699 0.90 ADRB2 (0.49) ADRB2ADRB1HTR1AADRA2ADRD2
Hydrochloric Acid SCHEMBL9134833 0.89 ADRB2 (0.48) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL9501855 0.86 ADRB2 (0.49) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL9503443 0.86 ADRB2 (0.49) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL9503449 0.86 ADRB2 (0.49) ADRB2ADRB1HTR1AADRA2ADRD2

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