SCHEMBL7147961

SCHEMBL7147961

CSc1cc([C@@H](O)CNC(C)Cc2ccccc2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.63
CASP3 P42574 1/20 0.58
CASP6 P55212 1/20 0.58
CYP2D6 P10635 4/20 0.51
CYP3A4 P08684 4/20 0.51
MAPK1 P28482 4/20 0.51
HSD17B10 Q99714 4/20 0.51
ADRB1 P08588 3/20 0.51
ADRA1A P35348 3/20 0.51
HIF1A Q16665 3/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
OPRM1 P35372 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ADRB3 P13945 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
PTGS1 P23219 1/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL7147965 1.00 ADRB2 (0.63) ADRB2CASP3CASP6CYP2D6CYP3A4
SCHEMBL10648836 0.88 ADRB2 (0.66) ADRB2CYP2D6CYP3A4MAPK1HSD17B10
SCHEMBL7149088 0.86 ADRB2 (0.74) ADRB2CASP3CASP6CYP2D6CYP3A4
SCHEMBL11807907 0.86 ADRB2 (0.74) ADRB2CASP3CASP6CYP2D6CYP3A4
SCHEMBL7149089 0.86 ADRB2 (0.74) ADRB2CASP3CASP6CYP2D6CYP3A4
Acetic Acid SCHEMBL10652049 0.84 ADRB2 (0.67) ADRB2CASP3CASP6CYP2D6HSD17B10
SCHEMBL7147967 0.84 ADRB2 (0.67) ADRB2CASP3CASP6CYP2D6CYP3A4
SCHEMBL13754643 0.81 ADRB2 (0.72) ADRB2CASP3CASP6CYP2D6ADRB1
SCHEMBL7143882 0.81 ADRB2 (0.72) ADRB2CASP3CASP6CYP2D6ADRB1
SCHEMBL7143881 0.81 ADRB2 (0.72) ADRB2CASP3CASP6CYP2D6ADRB1

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-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