SCHEMBL7146434

SCHEMBL7146434

CC(=O)NCc1ccc(CC(C)NC[C@H](O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.67
ADRB1 P08588 12/20 0.67
ADRB2 P07550 11/20 0.58
CASP3 P42574 1/20 0.52
CASP6 P55212 1/20 0.52
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
ADRA1A P35348 2/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1B P35368 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
MC4R P32245 1/20 0.50

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
SCHEMBL7146436 1.00 ADRB3 (0.67) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7152889 0.86 ADRB1 (0.70) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7152894 0.86 ADRB1 (0.70) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL6506229 0.86 ADRB1 (0.70) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7154302 0.86 ADRB3 (0.79) ADRB3ADRB1ADRB2CYP3A4ADRA1A
SCHEMBL7154304 0.86 ADRB3 (0.79) ADRB3ADRB1ADRB2CYP3A4ADRA1A
SCHEMBL11184120 0.84 ADRB1 (0.79) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7148194 0.84 ADRB1 (0.79) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7148196 0.84 ADRB1 (0.79) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL11303270 0.84 ADRB1 (0.66) ADRB3ADRB1ADRB2CYP3A4MAPK1

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 11 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