SCHEMBL7150308

SCHEMBL7150308

COC(=O)c1ccc(CC(C)NC[C@H](O)c2cccc(Cl)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.78
ADRB1 P08588 11/20 0.78
SLC2A1 P11166 3/20 0.73
ADRB2 P07550 11/20 0.72
GLA P06280 1/20 0.72
CYP2D6 P10635 2/20 0.70
ADRA1D P25100 2/20 0.70
ADRA1A P35348 2/20 0.70
ADRA1B P35368 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
CYP3A4 P08684 1/20 0.68
HIF1A Q16665 1/20 0.68
ADRA2A P08913 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62

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
SCHEMBL9671238 1.00 ADRB3 (0.78) ADRB3ADRB1SLC2A1ADRB2GLA
SCHEMBL7150315 1.00 ADRB3 (0.78) ADRB3ADRB1SLC2A1ADRB2GLA
SCHEMBL11183468 1.00 ADRB3 (0.78) ADRB3ADRB1SLC2A1ADRB2GLA
Bromide SCHEMBL10507037 0.99 ADRB3 (0.77) ADRB3ADRB1SLC2A1ADRB2GLA
Fumaric Acid SCHEMBL11178656 0.94 ADRB3 (0.73) ADRB3ADRB1SLC2A1ADRB2GLA
Fumaric Acid SCHEMBL11242399 0.94 ADRB3 (0.73) ADRB3ADRB1SLC2A1ADRB2GLA
SCHEMBL7150264 0.90 ADRB3 (0.80) ADRB3ADRB1SLC2A1ADRB2GLA
SCHEMBL7148235 0.90 ADRB3 (0.96) ADRB3ADRB1SLC2A1ADRB2GLA
SCHEMBL7148233 0.90 ADRB3 (0.96) ADRB3ADRB1SLC2A1ADRB2GLA
SCHEMBL7150262 0.90 ADRB3 (0.80) ADRB3ADRB1SLC2A1ADRB2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329358-A 3-Chlorophenyl anti-obesity agents BEECHAM GROUP LIMITED (GB) 1982-05-11 US claimed
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
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