SCHEMBL7205683

SCHEMBL7205683

COc1ccccc1C[C@@H](C)NC[C@H](O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.55
ADRB2 P07550 8/20 0.55
ADRB1 P08588 7/20 0.55
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
SLC22A3 O75751 1/20 0.46

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
SCHEMBL7205681 1.00 ADRB3 (0.55) ADRB3ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL7149183 0.87 ADRB3 (0.55) ADRB3ADRB2ADRB1
SCHEMBL7149184 0.87 ADRB3 (0.55) ADRB3ADRB2ADRB1
SCHEMBL7145432 0.87 ADRB2 (0.50) ADRB3ADRB2ADRB1
SCHEMBL7145431 0.87 ADRB2 (0.50) ADRB3ADRB2ADRB1
SCHEMBL7148406 0.86 ADRB3 (0.72) ADRB3ADRB2ADRB1
SCHEMBL7148400 0.86 ADRB3 (0.72) ADRB3ADRB2ADRB1
SCHEMBL10837495 0.86 ADRB3 (0.72) ADRB3ADRB2ADRB1
SCHEMBL7152514 0.84 ADRB3 (0.52) ADRB3ADRB2ADRB1
SCHEMBL7152520 0.84 ADRB3 (0.52) ADRB3ADRB2ADRB1

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 11 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-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-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