SCHEMBL11184232

SCHEMBL11184232

CC(C)(CCc1ccc(NC=O)cc1)NCC(O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.52
ADRB1 P08588 10/20 0.52
ADRB2 P07550 1/20 0.48
SLC2A1 P11166 1/20 0.47

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
SCHEMBL10891709 0.85 SLC2A1 (0.53) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL11315777 0.83 SLC2A1 (0.51) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL11176635 0.82 ADRB3 (0.54) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL10838597 0.82 CASR (0.55) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL11185331 0.78 SLC2A1 (0.71) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL11349555 0.76 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL10963417 0.76 CYP2D6 (0.42) ADRB3ADRB1ADRB2
SCHEMBL4656006 0.75 ADRB3 (0.60) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL10893060 0.75 ADRB3 (0.58) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL9640850 0.75 ADRB2 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028105-B1 SECONDARY AMINES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed
US-4329358-A 3-Chlorophenyl anti-obesity agents BEECHAM GROUP LIMITED (GB) 1982-05-11 US disclosed
EP-0028105-A1 Secondary amines, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-06 EP disclosed