SCHEMBL7153263

SCHEMBL7153263

COc1ccc([C@@H](O)CN)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.75
ADRA2A P08913 2/20 0.75
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2D6 P10635 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 1/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 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
SCHEMBL2975604 0.87 ADRA1A (0.57) ADRA1AADRA2ALMNACYP1A2TSHR
SCHEMBL29684720 0.87 ADRA1A (0.57) ADRA1AADRA2ALMNACYP1A2TSHR
Desglymidodrine SCHEMBL476432 0.86 ADRA1A (1.00) ADRA1AADRA2ALMNACYP1A2TSHR
Desglymidodrine SCHEMBL6031919 0.86 ADRA1A (1.00) ADRA1AADRA2ALMNACYP1A2TSHR
Desglymidodrine SCHEMBL29822558 0.86 ADRA1A (1.00) ADRA1AADRA2ALMNACYP1A2TSHR
Desglymidodrine SCHEMBL29583490 0.86 ADRA1A (1.00) ADRA1AADRA2ALMNACYP1A2TSHR
Desglymidodrine SCHEMBL6032882 0.86 ADRA1A (1.00) ADRA1AADRA2ALMNACYP1A2TSHR
SCHEMBL9173075 0.86 ADRA2A (0.56) ADRA1AADRA2ACYP2D6ADRB2ADRB1
Desglymidodrine SCHEMBL6576723 0.84 ADRA1A (0.97) ADRA1AADRA2ALMNACYP1A2TSHR
SCHEMBL11077851 0.84 ADRA1A (0.57) ADRA1AADRA2ACYP1A2CYP2D6BLM

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-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-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