SCHEMBL7145339

SCHEMBL7145339

C[C@H](Cc1ccccc1)NC[C@H](O)c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.63
MAPK1 P28482 4/20 0.56
POLB P06746 2/20 0.56
SIGMAR1 Q99720 5/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
CYP3A4 P08684 3/20 0.50
NPSR1 Q6W5P4 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
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
ADRA1A P35348 1/20 0.50
OPRM1 P35372 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
SCHEMBL7145334 1.00 ADRB2 (0.63) ADRB2MAPK1POLBSIGMAR1ADRB1
Oxalic Acid SCHEMBL11087228 0.84 ADRB2 (0.58) ADRB2MAPK1SIGMAR1ADRB1ADRB3
SCHEMBL18769877 0.84 ADRB2 (0.70) ADRB2MAPK1SIGMAR1ADRB1ADRB3
SCHEMBL7148579 0.84 ADRB2 (0.68) ADRB2SIGMAR1ADRB1ADRB3CYP3A4
SCHEMBL7147380 0.84 ADRB2 (0.58) ADRB2MAPK1SIGMAR1ADRB1ADRB3
SCHEMBL7148585 0.84 ADRB2 (0.68) ADRB2SIGMAR1ADRB1ADRB3CYP3A4
SCHEMBL7147382 0.84 ADRB2 (0.58) ADRB2MAPK1SIGMAR1ADRB1ADRB3
SCHEMBL7152527 0.82 ADRB1 (0.58) ADRB2SIGMAR1ADRB1ADRB3CYP2D6
SCHEMBL7152526 0.82 ADRB1 (0.58) ADRB2SIGMAR1ADRB1ADRB3CYP2D6
SCHEMBL7143880 0.81 ADRB2 (0.47) ADRB2MAPK1POLBADRB1ADRB3

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 13 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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US 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