SCHEMBL7779180

SCHEMBL7779180

CCOc1cccc2c(CC(C)NC(CO)c3cccc(Cl)c3)c[nH]c12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.72
ADRB1 P08588 10/20 0.58
ADRB2 P07550 8/20 0.58

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
SCHEMBL7782074 0.90 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL6911229 0.83 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7870408 0.83 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL678588 0.76 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL7593268 0.75 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL8710046 0.74 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL8710317 0.74 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7593273 0.73 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL7859235 0.73 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL6906026 0.73 ADRB3 (1.00) ADRB3ADRB1ADRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1128845-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTDIABETIC AGENT SMITHKLINE BEECHAM PLC (GB) 2001-09-05 EP disclosed
WO-2000027434-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTIDIABETIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO disclosed