SCHEMBL10891709

SCHEMBL10891709

Cc1ccc(CCC(C)(C)NCC(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.53
ADRB3 P13945 15/20 0.51
ADRB1 P08588 12/20 0.50
ADRB2 P07550 5/20 0.50

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
SCHEMBL11315777 0.88 SLC2A1 (0.51) SLC2A1ADRB3ADRB1ADRB2
SCHEMBL10893060 0.88 ADRB3 (0.58) SLC2A1ADRB3ADRB1ADRB2
SCHEMBL10838597 0.87 CASR (0.55) SLC2A1ADRB3ADRB1ADRB2
SCHEMBL11176635 0.85 ADRB3 (0.54) SLC2A1ADRB3ADRB1ADRB2
SCHEMBL10892969 0.85 ADRB2 (0.50) ADRB3ADRB1ADRB2
SCHEMBL11184232 0.85 ADRB3 (0.52) SLC2A1ADRB3ADRB1ADRB2
SCHEMBL10897293 0.84 ADRB2 (0.51) ADRB3ADRB1ADRB2
SCHEMBL10889312 0.83 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL4656006 0.81 ADRB3 (0.60) SLC2A1ADRB3ADRB1ADRB2
SCHEMBL10891737 0.81 ADRB3 (0.58) SLC2A1ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4588749-A ANTIOBESITY AND HYPOGLYCEMIC AGENTS BEECHAM GROUP P.L.C. (GB) 1986-05-13 US disclosed
EP-0040000-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-10-12 EP disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 EP disclosed