SCHEMBL7145423

SCHEMBL7145423

COC(=O)c1cc([C@@H](O)CN[C@H](C)Cc2ccccc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.62
ADRB1 P08588 10/20 0.62
ADRA1A P35348 5/20 0.62
ADRA1D P25100 4/20 0.62
ADRA1B P35368 4/20 0.62
CYP2D6 P10635 3/20 0.62
ADRA2A P08913 2/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
SLC6A4 P31645 2/20 0.62
DRD3 P35462 2/20 0.62
SLC6A3 Q01959 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
HTR1A P08908 1/20 0.62
SLC6A2 P23975 1/20 0.62
OPRM1 P35372 1/20 0.62

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
SCHEMBL7145422 1.00 ADRB2 (0.62) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL7208690 0.87 ADRB2 (0.80) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL7208694 0.87 ADRB2 (0.80) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL7149089 0.83 ADRB2 (0.74) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL7149088 0.83 ADRB2 (0.74) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11807907 0.83 ADRB2 (0.74) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL10661434 0.83 ADRB2 (0.60) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL13898911 0.82 ADRB2 (0.59) ADRB2ADRB1ADRA1ACYP2D6LMNA
SCHEMBL10664103 0.81 ADRB2 (0.69) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL7147967 0.81 ADRB2 (0.67) ADRB2ADRB1ADRA1AADRA1DADRA1B

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-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-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