SCHEMBL4741160

SCHEMBL4741160

COC(CNC(=O)c1cccc(CCN(CCc2ccc(O)c3[nH]c(=O)sc23)C(=O)OC(C)(C)C)c1)OC

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.44
ADRB1 P08588 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL4784295 0.91 ADRB2 (0.44) ADRB2ADRB1ADRA1D
SCHEMBL4741385 0.88 ADRB2 (0.44) ADRB2
SCHEMBL4741159 0.84 ADRB2 (0.39) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4744075 0.79 ADRB2 (0.45) ADRB2
SCHEMBL4740671 0.77 ADRB2 (0.48) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4738383 0.77 ADRB2 (0.45) ADRB2
SCHEMBL4742320 0.77 ADRB2 (0.45) ADRB2
SCHEMBL4741410 0.75 ADRB2 (0.42) ADRB2
SCHEMBL4742599 0.74 ADRB2 (0.43) ADRB2
SCHEMBL4789505 0.74 ADRB2 (0.42) 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