SCHEMBL1461292

SCHEMBL1461292

CNC[C@H](O)c1ccc(O)c(O)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 6/20 0.68
▸ ADRA2B P18089 6/20 0.68
▸ ADRA2C P18825 6/20 0.68
▸ ADRA1A P35348 3/20 0.68
▸ ADRB1 P08588 5/20 0.50
▸ ADRB2 P07550 4/20 0.50
▸ ADRB3 P13945 4/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ DRD2 P14416 1/20 0.50

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
SCHEMBL9767993 1.00 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL29278698 0.98 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL4122825 0.81 ADRB2 (0.50) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL2760850 0.81 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL29852847 0.81 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL9768011 0.81 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL4869389 0.80 ADRB2 (0.48) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL7724551 0.80 ADRB2 (0.48) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL7145434 0.79 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL28535211 0.78 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117481073-A Construction method and application of fetal nerve tube malformation animal model 安徽医科大学 2024-02-02 — — CN claimed
CN-106610405-A Method for detecting contents of catecholamine substances and methoxy metabolites in human urine 江苏省人民医院 2017-05-03 — — CN claimed
EP-2473199-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS Brain Watch Ltd. (IL) 2012-07-11 — — EP claimed
US-20120156139-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEROF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2012-06-21 — — US claimed
WO-2011024156-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2011-03-03 — — WO claimed
US-20080287774-A1 Magnetic Resonance Imaging and Spectroscopy Means and Methods Thereof BRAIN WATCH LTD. (IL) 2008-11-20 — — US claimed
CN-117481073-A Construction method and application of fetal nerve tube malformation animal model 安徽医科大学 2024-02-02 — — CN disclosed
CN-106610405-A Method for detecting contents of catecholamine substances and methoxy metabolites in human urine 江苏省人民医院 2017-05-03 — — CN disclosed
EP-2473199-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS Brain Watch Ltd. (IL) 2012-07-11 — — EP disclosed
US-20120156139-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEROF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2012-06-21 — — US disclosed
WO-2011024156-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2011-03-03 — — WO disclosed
CN-101395164-A N- (phosphonoalkyl) -amino acids, derivatives and compositions thereof, and methods of use SCOTT EUGENE J VAN YU RUEY J (US) 2009-03-25 — — CN disclosed
US-20080287774-A1 Magnetic Resonance Imaging and Spectroscopy Means and Methods Thereof BRAIN WATCH LTD. (IL) 2008-11-20 — — US disclosed
WO-2007052274-A2 MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY MEANS AND METHODS THEREOF BRAIN WATCH LTD. (IL) 2007-05-10 — — WO disclosed
CN-1290823-C Ketol fatty acid amide derivatives and plant growth regulators SHISEIDO CO LTD (JP) 2006-12-20 — — CN disclosed
CN-1680287-A Ketol fatty acid amide derivatives and plant growth regulators SHISEIDO CO LTD (JP) 2005-10-12 — — CN disclosed
CN-1210278-C Ketol fatty acid derivatives, preparation method and plant growth regulator SHISEIDO CO LTD (JP) 2005-07-13 — — CN disclosed
CN-1173926-C Substituted 2-phenyl-(3,4-dihydroxy-5-nitrophenyl)-1-ethanones, their use in the treatment of some central and peripheral nervous system and pharmaceutical compositions containing them — 2004-11-03 — — CN disclosed
CN-1419555-A Ketol fatty acid derivatives and plant growth regulators SHISEIDO CO LTD (JP) 2003-05-21 — — CN disclosed
CN-1296471-A Substituted 2-phenyl-(3,4-dihydroxy-5-nitrophenyl)-1-ethanones, their use in the treatment of some central and peripheral nervous system and pharmaceutical compositions containing them PORTELA & CA SA (PT) 2001-05-23 — — CN disclosed
Send feedback