SCHEMBL7150325

SCHEMBL7150325

NC[C@H](O)c1ccccc1CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TAAR1 Q96RJ0 3/20 0.38
TSHR P16473 2/20 0.38
HTR3A P46098 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
ADRA2A P08913 4/20 0.37
ADRA1A P35348 4/20 0.37
AOC3 Q16853 1/20 0.37
APEX1 P27695 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
ADRB2 P07550 3/20 0.36
ADRA1B P35368 2/20 0.36
PNMT P11086 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7146476 0.84 IDO1 (0.38) IDO1TAAR1TSHRHTR3ANFKB1
SCHEMBL18536340 0.83 ALDH1A1 (0.38) TSHRNFKB1HIF1AAOC3ADRB2
SCHEMBL17193846 0.83 ALDH1A1 (0.38) TSHRNFKB1HIF1AAOC3ADRB2
SCHEMBL7148819 0.81 ALDH1A1 (0.36) IDO1TAAR1TSHRHTR3ANFKB1
SCHEMBL7153965 0.80 CYSLTR2 (0.35) IDO1ADRA2AADRA1AAOC3ADRB2
SCHEMBL1444988 0.79 IDO1 (0.48) IDO1TAAR1TSHRHTR3ANFKB1
SCHEMBL7149173 0.79 IDO1 (0.43) IDO1TAAR1TSHRHTR3ANFKB1
SCHEMBL27516435 0.78 PNMT (0.43) IDO1TAAR1AOC3ADRB2PNMT
SCHEMBL9766258 0.77 ADRB2 (0.38) TSHRHIF1AAOC3ADRB2CYP3A4
SCHEMBL7148629 0.76 IDO1 (0.41) IDO1TAAR1TSHRHTR3ANFKB1

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