SCHEMBL7150211

SCHEMBL7150211

C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 1.00
CYP3A4 P08684 3/20 0.81
MAPK1 P28482 3/20 0.81
NPSR1 Q6W5P4 2/20 0.81
CYP2D6 P10635 1/20 0.81
TSHR P16473 1/20 0.81
HIF1A Q16665 1/20 0.81
HSD17B10 Q99714 1/20 0.81
ADRB1 P08588 1/20 0.81
ADORA3 P0DMS8 1/20 0.81
ADRB3 P13945 1/20 0.81
PTGS1 P23219 1/20 0.81
SLC6A2 P23975 1/20 0.81
HTR2A P28223 1/20 0.81
SLC6A4 P31645 1/20 0.81
MC4R P32245 1/20 0.81
ADRA1A P35348 1/20 0.81
OPRM1 P35372 1/20 0.81
MC3R P41968 1/20 0.81
SLC6A3 Q01959 1/20 0.81

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
SCHEMBL7150209 1.00 ADRB2 (1.00) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793580 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2797265 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793776 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2797261 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793781 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793567 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2797720 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793586 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2797727 0.91 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6

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