SCHEMBL7150216

SCHEMBL7150216

NC[C@H](O)c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRB2 P07550 2/20 0.41
ADRA1B P35368 1/20 0.41
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
HTR3A P46098 1/20 0.39
NFKB1 P19838 1/20 0.39
KDM4E B2RXH2 2/20 0.38
APEX1 P27695 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
RECQL P46063 1/20 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
SCHEMBL8421090 0.83 CYP3A4 (0.39) ADRB2CYP3A4HSD17B10MAPK1TSHR
SCHEMBL7147316 0.81 KCNH2 (0.54) ADRB2CYP3A4TAAR1TSHRHIF1A
SCHEMBL10388923 0.81 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL166818 0.81 KCNH2 (0.54) ADRB2CYP3A4TAAR1TSHRHIF1A
SCHEMBL7148243 0.78 CYP3A4 (0.48) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL7153604 0.78 TAAR1 (0.39) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL2250 0.75 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL8441650 0.73 PDE2A (0.46) ADRB2CYP3A4MAPK1TSHRNFKB1
SCHEMBL10396657 0.72 LMNA (0.53) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL7147301 0.72 LMNA (0.53) ADRA2AADRA2BADRA2CADRA1ACYP3A4

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