SCHEMBL7150293

SCHEMBL7150293

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
BLM P54132 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
KDM4E B2RXH2 4/20 0.52
APEX1 P27695 3/20 0.52
MAPT P10636 3/20 0.52
RECQL P46063 3/20 0.52
TAAR1 Q96RJ0 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
ADRA1D P25100 2/20 0.52
MEN1 O00255 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADRB3 P13945 1/20 0.52

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
Phenylethanolamine SCHEMBL21723498 0.82 BLM (0.57) CYP3A4BLMTDP1KDM4EAPEX1
Phenylethanolamine SCHEMBL296410 0.82 BLM (0.57) CYP3A4BLMTDP1KDM4EAPEX1
Phenylethanolamine SCHEMBL25831761 0.82 BLM (0.57) CYP3A4BLMTDP1KDM4EAPEX1
Phenylethanolamine SCHEMBL7150657 0.82 BLM (0.57) CYP3A4BLMTDP1KDM4EAPEX1
SCHEMBL7145874 0.82 BLM (0.57) CYP3A4BLMTDP1KDM4EAPEX1
Phenylethanolamine SCHEMBL5888034 0.81 BLM (0.55) CYP3A4BLMTDP1KDM4EAPEX1
SCHEMBL8402037 0.78 BLM (0.52) CYP3A4BLMTDP1KDM4EAPEX1
SCHEMBL3389189 0.78 BLM (0.52) CYP3A4BLMTDP1KDM4EAPEX1
Hydrochloric Acid SCHEMBL4853493 0.76 BLM (0.50) CYP3A4BLMTDP1KDM4EAPEX1
SCHEMBL7147396 0.76 ADRB1 (0.45) CYP3A4BLMTDP1KDM4EAPEX1

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