SCHEMBL7208694

SCHEMBL7208694

C[C@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.80
ADRB1 P08588 7/20 0.80
ADRA1D P25100 6/20 0.80
ADRA1A P35348 6/20 0.80
ADRA1B P35368 6/20 0.80
CYP2D6 P10635 2/20 0.80
ADRA2A P08913 2/20 0.80
KDM4E B2RXH2 2/20 0.80
ALDH1A1 P00352 2/20 0.80
LMNA P02545 2/20 0.80
HPGD P15428 2/20 0.80
HSD17B10 Q99714 2/20 0.80
HTR1A P08908 1/20 0.80
SLC6A2 P23975 1/20 0.80
SLC6A4 P31645 1/20 0.80
OPRM1 P35372 1/20 0.80
DRD3 P35462 1/20 0.80
HTR2B P41595 1/20 0.80
SLC6A3 Q01959 1/20 0.80
SIGMAR1 Q99720 1/20 0.80

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
SCHEMBL7208690 1.00 ADRB2 (0.80) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL29687428 0.89 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL7273474 0.89 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL3499242 0.89 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL10356800 0.89 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL41231 0.89 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL10882744 0.89 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Dilevalol SCHEMBL79468 0.89 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL4582 0.89 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL41230 0.88 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B

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 10 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
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