SCHEMBL7153455

SCHEMBL7153455

COc1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.72
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ADRB1 P08588 6/20 0.64
ADRB3 P13945 6/20 0.64
SLC2A1 P11166 1/20 0.59
DRD2 P14416 2/20 0.58
PGR P06401 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
DRD3 P35462 1/20 0.58
SIGMAR1 Q99720 1/20 0.58

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
SCHEMBL7153454 1.00 ADRB2 (0.72) ADRB2MEN1KMT2AADRB1ADRB3
SCHEMBL7049980 1.00 ADRB2 (0.72) ADRB2MEN1KMT2AADRB1ADRB3
SCHEMBL7153097 0.93 ADRB2 (0.78) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL7153093 0.93 ADRB2 (0.78) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL7150580 0.88 ADRB3 (0.63) ADRB2ADRB1ADRB3SLC2A1ADRA1A
SCHEMBL7937104 0.87 ADRB2 (0.75) ADRB2ADRB1ADRB3SLC2A1DRD2
SCHEMBL7149113 0.87 ADRB2 (0.75) ADRB2ADRB1ADRB3SLC2A1DRD2
SCHEMBL7149115 0.87 ADRB2 (0.75) ADRB2ADRB1ADRB3SLC2A1DRD2
SCHEMBL11170158 0.86 ADRB1 (0.64) ADRB2ADRB1ADRB3SLC6A4ADRA1A
SCHEMBL7151262 0.85 ADRB1 (0.80) ADRB2ADRB1ADRB3SLC2A1SLC6A4

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
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-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