SCHEMBL4802178

SCHEMBL4802178

CC(C)(C)OC(=O)Oc1ccc(CCN(CCc2cccc(OCCO)c2)C(=O)OC(C)(C)C)c2sc(=O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.38
ADRB1 P08588 2/20 0.36
DRD3 P35462 1/20 0.36
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL4742671 0.91 ADRB2 (0.38) ADRB2ADRB1DRD3
SCHEMBL4738450 0.89 ADRB2 (0.35) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4738388 0.85 ADRB2 (0.36) ADRB2
SCHEMBL4751870 0.85 ADRB2 (0.35) ADRB2
SCHEMBL4740671 0.81 ADRB2 (0.48) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4786393 0.81 ADRB2 (0.35) ADRB2ADRB1DRD3
SCHEMBL4738431 0.81 ADRB2 (0.37) ADRB2
SCHEMBL4786013 0.80 ADRB2 (0.37) ADRB2
SCHEMBL4787047 0.76 ADRB2 (0.32) ADRB2
SCHEMBL4739323 0.75 ADRB2 (0.31) ADRB2

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-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed