SCHEMBL9707082

SCHEMBL9707082

COc1ccc(CCCCC(N)c2ccc(O)c3[nH]c(=O)sc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.52
ADRB1 P08588 19/20 0.52
DRD3 P35462 5/20 0.52
ADRA1D P25100 6/20 0.51
DRD2 P14416 6/20 0.51

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
SCHEMBL9520767 0.81 ADRB2 (0.47) ADRB2ADRB1DRD3ADRA1DDRD2
SCHEMBL9521732 0.77 ADRB2 (0.45) ADRB2ADRB1DRD3
SCHEMBL9520760 0.74 ADRB2 (0.66) ADRB2ADRB1DRD3ADRA1DDRD2
Hydrochloric Acid SCHEMBL7829645 0.74 ADRB2 (0.59) ADRB2ADRB1DRD2
Hydrochloric Acid SCHEMBL8881126 0.73 ADRB2 (0.65) ADRB2ADRB1DRD3ADRA1DDRD2
SCHEMBL3834543 0.73 ADRB2 (0.69) ADRB2ADRB1DRD3ADRA1DDRD2
SCHEMBL9522096 0.72 ADRB2 (0.59) ADRB2ADRB1DRD2
SCHEMBL9522342 0.72 ADRB2 (0.72) ADRB2ADRB1DRD3ADRA1DDRD2
Hydrochloric Acid SCHEMBL7839357 0.72 ADRB2 (0.59) ADRB2ADRB1DRD2
Hydrochloric Acid SCHEMBL8882013 0.72 ADRB2 (0.71) ADRB2ADRB1DRD3ADRA1DDRD2

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
WO-1992008708-A1 BIOLOGICALLY ACTIVE AMINES FISONS PLC (GB) 1992-05-29 WO claimed