SCHEMBL10659768

SCHEMBL10659768

COC(=O)c1ccc(CC(C)NCC(O)c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 13/20 0.56
ADRB2 P07550 8/20 0.56
ADRB3 P13945 12/20 0.54
GLA P06280 1/20 0.47
CYP2D6 P10635 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NFKB1 P19838 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC2A1 P11166 2/20 0.45
CASP3 P42574 1/20 0.44
CASP6 P55212 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL8700888 0.89 ADRB2 (0.50) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL11089904 0.85 ADRB2 (0.59) ADRB1ADRB2ADRB3GLACYP2D6
SCHEMBL10662286 0.85 ADRB2 (0.50) ADRB1ADRB2ADRB3GLACYP2D6
SCHEMBL7148585 0.85 ADRB2 (0.68) ADRB1ADRB2ADRB3CYP2D6CYP1A2
SCHEMBL7148579 0.85 ADRB2 (0.68) ADRB1ADRB2ADRB3CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL11093309 0.84 ADRB2 (0.58) ADRB1ADRB2ADRB3GLACYP2D6
SCHEMBL10662347 0.83 ADRB3 (0.48) ADRB1ADRB2ADRB3GLACYP2D6
SCHEMBL10508374 0.83 ADRB3 (0.77) ADRB1ADRB2ADRB3GLACYP2D6
SCHEMBL7153666 0.83 ADRB3 (0.77) ADRB1ADRB2ADRB3GLACYP2D6
SCHEMBL11174788 0.83 ADRB3 (0.77) ADRB1ADRB2ADRB3GLACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 EP disclosed