SCHEMBL7149154

SCHEMBL7149154

COc1c(O)cccc1[C@@H](O)CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.47
ADRA1A P35348 3/20 0.47
NFKB1 P19838 1/20 0.46
BLM P54132 2/20 0.45
PMP22 Q01453 1/20 0.45
PABPC1 P11940 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
ADRB2 P07550 3/20 0.40
ADRA1B P35368 2/20 0.40
AOC3 Q16853 1/20 0.40
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
BCHE P06276 1/20 0.39
TYR P14679 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL28789370 0.86 PABPC1 (0.46) ADRA2ANFKB1PABPC1CA1CA2
SCHEMBL7145406 0.84 ADRA2A (0.39) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL7153411 0.82 ADRA2A (0.56) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL29112412 0.82 ADRA2A (0.56) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL1819427 0.81 ADRA2A (0.62) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL11039264 0.81 CA1 (0.48) ADRA2ABLMPABPC1CA1CA2
SCHEMBL11099092 0.79 NFKB1 (0.47) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL458285 0.77 GABRA1 (0.56) BLMCA1CA2BCHETYR
SCHEMBL28998308 0.76 CA1 (0.47) BLMPABPC1CA1CA2BCHE
SCHEMBL7145781 0.75 ADRA2A (0.56) ADRA2AADRA1ANFKB1BLMPMP22

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