SCHEMBL4742726

SCHEMBL4742726

CC(C)(C)OC(=O)N(CCc1ccc(O)c2[nH]c(=O)sc12)Cc1ccc(OCC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.41
ADRB1 P08588 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL4738395 0.86 ADRB2 (0.43) ADRB2
SCHEMBL4741410 0.85 ADRB2 (0.42) ADRB2
SCHEMBL4786393 0.84 ADRB2 (0.35) ADRB2ADRB1DRD3
SCHEMBL4740700 0.83 ADRB2 (0.45) ADRB2ADRB1DRD3
SCHEMBL4744131 0.83 ADRB2 (0.41) ADRB2
SCHEMBL4741978 0.82 ADRB2 (0.40) ADRB2
SCHEMBL4742320 0.82 ADRB2 (0.45) ADRB2
SCHEMBL4738383 0.82 ADRB2 (0.45) ADRB2
SCHEMBL4740708 0.81 ADRB2 (0.41) ADRB2
SCHEMBL4744075 0.80 ADRB2 (0.45) 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