SCHEMBL7207417

SCHEMBL7207417

CNC(C)Oc1cccc(CC(C)NC[C@H](O)c2cccc(Cl)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.69
ADRB1 P08588 10/20 0.69
SLC2A1 P11166 3/20 0.65
ADRB2 P07550 12/20 0.64
CYP2D6 P10635 2/20 0.61
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GLA P06280 1/20 0.60
CYP3A4 P08684 1/20 0.59
HIF1A Q16665 1/20 0.59
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56

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
SCHEMBL7147252 0.89 ADRB2 (0.58) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL7153608 0.87 ADRB2 (0.71) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL10840590 0.87 ADRB2 (0.71) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL7153610 0.87 ADRB2 (0.71) ADRB3ADRB1SLC2A1ADRB2CYP2D6
Hydrochloric Acid SCHEMBL10839888 0.86 SLC2A1 (0.72) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL7207420 0.83 ADRB3 (0.68) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL7207424 0.83 ADRB3 (0.68) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL10898303 0.83 ADRB3 (0.68) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL10895573 0.82 ADRB3 (0.83) ADRB3ADRB1SLC2A1ADRB2CYP2D6
Hydrochloric Acid SCHEMBL10956628 0.82 SLC2A1 (0.68) ADRB3ADRB1SLC2A1ADRB2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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