SCHEMBL7148804

SCHEMBL7148804

COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.50
SLC2A1 P11166 2/20 0.49
ADRB1 P08588 6/20 0.47
ADRB3 P13945 4/20 0.47
CYP3A4 P08684 4/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
DRD2 P14416 2/20 0.47
ADRA1A P35348 2/20 0.47
CYP2D6 P10635 2/20 0.47
PGR P06401 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
OPRM1 P35372 2/20 0.46
HIF1A Q16665 2/20 0.46

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
SCHEMBL7148803 1.00 ADRB2 (0.50) ADRB2SLC2A1ADRB1ADRB3CYP3A4
SCHEMBL7147388 0.88 ADRB2 (0.52) ADRB2SLC2A1ADRB1ADRB3CYP3A4
SCHEMBL7147390 0.88 ADRB2 (0.52) ADRB2SLC2A1ADRB1ADRB3CYP3A4
SCHEMBL7147938 0.86 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP3A4SLC6A4
SCHEMBL7147936 0.86 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP3A4SLC6A4
SCHEMBL8206096 0.86 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP3A4SLC6A4
SCHEMBL11847610 0.86 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP3A4SLC6A4
SCHEMBL9236382 0.85 ADRB2 (0.44) ADRB2ADRB1ADRB3CYP3A4SLC6A4
Hydrochloric Acid SCHEMBL11847592 0.85 ADRB2 (0.53) ADRB2SLC2A1ADRB1ADRB3CYP3A4
SCHEMBL11842447 0.85 ADRB2 (0.53) ADRB2ADRB1ADRB3CYP3A4SLC6A4

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 12 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
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