SCHEMBL7148778

SCHEMBL7148778

COC(=O)c1cc([C@@H](O)CN[C@H](C)Cc2ccccc2)ccc1OC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.65
ADRB1 P08588 10/20 0.65
PDE4A P27815 2/20 0.47
ADRB2 P07550 6/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
CASP3 P42574 1/20 0.45
CASP6 P55212 1/20 0.45

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
SCHEMBL7148774 1.00 ADRB3 (0.65) ADRB3ADRB1PDE4AADRB2ADRA1D
SCHEMBL8714208 0.81 PDE4A (0.47) ADRB3ADRB1PDE4A
SCHEMBL8714212 0.81 PDE4A (0.47) ADRB3ADRB1PDE4A
SCHEMBL7145423 0.80 ADRB2 (0.62) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7145422 0.80 ADRB2 (0.62) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7151638 0.79 PDE5A (0.43) ADRB3ADRB1PDE4AADRB2ADRA1D
Hydrochloric Acid SCHEMBL5668663 0.78 ADRB3 (0.98) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4462324 0.77 ADRB3 (0.96) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4463415 0.75 ADRB3 (0.93) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4462002 0.74 ADRB3 (0.83) ADRB3ADRB1

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 12 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
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed