SCHEMBL7147396

SCHEMBL7147396

NC[C@H](O)c1cc(Cl)c(N)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.45
LMNA P02545 3/20 0.45
ADRB2 P07550 3/20 0.45
ADRA1A P35348 2/20 0.45
TSHR P16473 2/20 0.45
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRK1 P41145 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TAAR1 Q96RJ0 3/20 0.38
APEX1 P27695 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL3983553 0.87 ADRB1 (0.56) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL6323504 0.87 ADRB1 (0.56) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL7153101 0.79 ADRB2 (0.51) ADRB1LMNAADRB2ADRA1AKDM4E
SCHEMBL30083793 0.77 ADRB1 (0.81) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL10614327 0.77 ADRB1 (0.81) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL1596947 0.77 CA1 (0.48) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL7148229 0.77 BLM (0.45) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL7150188 0.77 HPGD (0.45) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL7150293 0.76 CYP3A4 (0.52) ADRB1LMNAADRB2ADRA1ATSHR
Hydrochloric Acid SCHEMBL10614323 0.76 LMNA (0.81) ADRB1LMNAADRB2ADRA1ATSHR

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