SCHEMBL7147429

SCHEMBL7147429

NC[C@H](O)c1cccc(I)c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.38
HTR3A P46098 1/20 0.38
TSHR P16473 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
PNMT P11086 1/20 0.37
APEX1 P27695 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
KDM4E B2RXH2 3/20 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
IDO1 P14902 1/20 0.36
MAPT P10636 3/20 0.34
RECQL P46063 3/20 0.34
BLM P54132 3/20 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
SCHEMBL10595562 0.83 IDO1 (0.42) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL7150299 0.83 IDO1 (0.42) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL7147408 0.81 ADRA2A (0.41) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL7151065 0.78 TAAR1 (0.40) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL3070445 0.76 FAAH (0.31) TSHRHIF1ABLMCYP3A4HPGD
SCHEMBL1444988 0.74 IDO1 (0.48) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL28449368 0.74 GABRA1 (0.39) TSHRHIF1AKDM4EBLMCYP3A4
SCHEMBL7148298 0.72 TAAR1 (0.39) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL7143938 0.71 TAAR1 (0.38) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL7152837 0.71 ADRA2A (0.38) TAAR1HTR3ATSHRNFKB1HIF1A

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