SCHEMBL7152175

SCHEMBL7152175

CC(=O)Nc1cc([C@@H](O)CN[C@H](C)Cc2ccccc2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.61
CASP3 P42574 1/20 0.61
CASP6 P55212 1/20 0.61
ADRB3 P13945 5/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
NFKB1 P19838 1/20 0.57
RAB9A P51151 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LMNA P02545 1/20 0.56
ADRB1 P08588 5/20 0.56
DRD2 P14416 2/20 0.56
PGR P06401 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
PTGS2 P35354 1/20 0.56

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
SCHEMBL13906446 1.00 ADRB2 (0.61) ADRB2CASP3CASP6ADRB3CYP1A2
SCHEMBL7152166 1.00 ADRB2 (0.61) ADRB2CASP3CASP6ADRB3CYP1A2
SCHEMBL20420611 0.91 ADRB2 (0.64) ADRB2CASP3CASP6ADRB3CYP1A2
SCHEMBL3824204 0.91 ADRB2 (0.64) ADRB2CASP3CASP6ADRB3CYP1A2
SCHEMBL13897129 0.90 CYP3A4 (0.59) ADRB2CASP3CASP6ADRB3CYP1A2
SCHEMBL13898911 0.89 ADRB2 (0.59) ADRB2CASP3CASP6ADRB3CYP1A2
SCHEMBL10665374 0.87 ADRB2 (0.60) ADRB2CASP3CASP6ADRB3CYP1A2
SCHEMBL16249283 0.87 ADRB2 (0.74) ADRB2ADRB3CYP1A2CYP3A4CYP2D6
SCHEMBL30254890 0.87 ADRB2 (0.74) ADRB2ADRB3CYP1A2CYP3A4CYP2D6
SCHEMBL13906283 0.87 ADRB2 (0.74) ADRB2ADRB3CYP1A2CYP3A4CYP2D6

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