SCHEMBL19971006

SCHEMBL19971006

C#COc1cccc(CNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.63
ADRB1 P08588 15/20 0.63
ADRA1D P25100 1/20 0.56

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
SCHEMBL19971004 1.00 ADRB2 (0.63) ADRB2ADRB1ADRA1D
SCHEMBL19971014 0.89 ADRB2 (0.60) ADRB2ADRB1
SCHEMBL19971015 0.89 ADRB2 (0.60) ADRB2ADRB1
Hydrochloric Acid SCHEMBL5490541 0.87 ADRB2 (0.78) ADRB2ADRB1ADRA1D
SCHEMBL19971008 0.84 ADRB2 (0.52) ADRB2ADRB1ADRA1D
SCHEMBL19971000 0.84 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL19970998 0.84 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL19971007 0.84 ADRB2 (0.52) ADRB2ADRB1ADRA1D
SCHEMBL19970991 0.84 ADRB2 (0.52) ADRB2ADRB1ADRA1D
SCHEMBL19970992 0.84 ADRB2 (0.52) ADRB2ADRB1ADRA1D

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
EP-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 EP claimed