SCHEMBL7150299

SCHEMBL7150299

NC[C@H](O)c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TAAR1 Q96RJ0 5/20 0.40
HTR3A P46098 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
ADRA2A P08913 4/20 0.39
ADRA1A P35348 4/20 0.39
APEX1 P27695 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
ADRB2 P07550 3/20 0.38
ADRA1B P35368 2/20 0.38
CYP3A4 P08684 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 2/20 0.36

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 1.00 IDO1 (0.42) IDO1TAAR1HTR3ATSHRNFKB1
SCHEMBL1444988 0.83 IDO1 (0.48) IDO1TAAR1HTR3ATSHRNFKB1
SCHEMBL7147429 0.83 TAAR1 (0.38) IDO1TAAR1HTR3ATSHRNFKB1
SCHEMBL2850755 0.82 CYP2D6 (0.36) IDO1TAAR1TSHRNFKB1HIF1A
SCHEMBL11050837 0.82 CYP2D6 (0.36) IDO1TAAR1TSHRNFKB1HIF1A
SCHEMBL16685696 0.80 LMNA (0.50) TSHRNFKB1HIF1AALOX15ADRB2
SCHEMBL10353690 0.80 CYP2D6 (0.35) TAAR1NFKB1HIF1AKDM4EADRB2
SCHEMBL27763771 0.80 CYP2D6 (0.35) TAAR1NFKB1HIF1AADRA2AKDM4E
SCHEMBL2208538 0.80 LMNA (0.50) TSHRNFKB1HIF1AALOX15ADRB2
SCHEMBL11080353 0.79 TAAR1 (0.41) IDO1TAAR1CYP3A4SLC6A2SLC6A4

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