SCHEMBL7147388

SCHEMBL7147388

COc1ccc(CC(C)NC[C@H](O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.52
ADRB1 P08588 6/20 0.52
ADRB3 P13945 5/20 0.52
CYP3A4 P08684 3/20 0.51
SLC2A1 P11166 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 2/20 0.51
SLC6A4 P31645 2/20 0.51
OPRM1 P35372 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HIF1A Q16665 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SLC22A1 O15245 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 2/20 0.48
CYP2D6 P10635 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL7147390 1.00 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP3A4SLC2A1
SCHEMBL7146508 0.89 ADRB2 (0.65) ADRB2ADRB1ADRB3CYP3A4NPSR1
SCHEMBL7144071 0.89 ADRB2 (0.53) ADRB2ADRB1ADRB3CYP3A4NPSR1
SCHEMBL7146502 0.89 ADRB2 (0.65) ADRB2ADRB1ADRB3CYP3A4NPSR1
SCHEMBL7144074 0.89 ADRB2 (0.53) ADRB2ADRB1ADRB3CYP3A4NPSR1
SCHEMBL7148803 0.88 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP3A4SLC2A1
SCHEMBL7148804 0.88 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP3A4SLC2A1
SCHEMBL19284100 0.88 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP3A4NPSR1
SCHEMBL7150546 0.88 ADRB1 (0.65) ADRB2ADRB1ADRB3
SCHEMBL9117884 0.88 ADRB1 (0.65) ADRB2ADRB1ADRB3

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-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 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
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