SCHEMBL3487656

SCHEMBL3487656

NC[C@H](O)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.61
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
NISCH Q9Y2I1 1/20 0.55
CYP2D6 P10635 2/20 0.55
NFKB1 P19838 2/20 0.55
HIF1A Q16665 2/20 0.55
BLM P54132 1/20 0.53
DPP4 P27487 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PNMT P11086 1/20 0.43
IDO1 P14902 3/20 0.42
TDO2 P48775 2/20 0.42
IDO2 Q6ZQW0 2/20 0.42
TAAR1 Q96RJ0 3/20 0.40
ACP3 P15309 1/20 0.40

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
SCHEMBL3489603 1.00 AOC3 (0.61) AOC3ADRB2ADRB1NISCHCYP2D6
SCHEMBL2839905 1.00 AOC3 (0.61) AOC3ADRB2ADRB1NISCHCYP2D6
SCHEMBL30839517 1.00 AOC3 (0.61) AOC3ADRB2ADRB1NISCHCYP2D6
Hydrochloric Acid SCHEMBL1570804 0.98 AOC3 (0.59) AOC3ADRB2ADRB1NISCHCYP2D6
SCHEMBL1444988 0.83 IDO1 (0.48) ADRB2ADRB1NFKB1HIF1ABLM
SCHEMBL7147316 0.83 KCNH2 (0.54) AOC3ADRB2ADRB1NISCHCYP2D6
SCHEMBL166818 0.83 KCNH2 (0.54) AOC3ADRB2ADRB1NISCHCYP2D6
SCHEMBL4298647 0.82 ADRB2 (0.56) AOC3ADRB2ADRB1NISCHCYP2D6
SCHEMBL3920493 0.82 ADRB2 (0.56) AOC3ADRB2ADRB1NISCHCYP2D6
SCHEMBL7468533 0.82 ADRB2 (0.56) AOC3ADRB2ADRB1NISCHCYP2D6

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068771-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED BETA-AMINO ALCOLHOLS STARTING FROM GLYCINE AND AN ALDEHYDE IN THE PRESENCE OF A THREONINE ALDOLASE AND A DECARBOXYLASE DSM IP ASSETS B.V. (NL) 2010-03-18 US disclosed
CN-101473039-A Method for producing enantiomerically enriched beta-aminoalcohols starting from glycine and an aldehyde in the presence of a threonine aldolase and a decarboxylase DSM IP ASSETS BV (NL) 2009-07-01 CN disclosed
US-20080261286-A1 Methods for producing optically active alpha-hydroxy amides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-10-23 US disclosed
US-20050202545-A1 Methods for producing optically active alpha-hydroxy amides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-15 US disclosed
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-6248573-B1 SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US 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-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0627397-B1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEM (JP) 1997-01-02 EP disclosed
US-5508461-A ANTIOBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
EP-0627397-A1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed