SCHEMBL3049265

SCHEMBL3049265

O=C(O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.57
SIRT5 Q9NXA8 1/20 0.56
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
PLG P00747 3/20 0.54
MME P08473 3/20 0.54
ECE1 P42892 2/20 0.54
IL1RN P18510 2/20 0.54
ERAP2 Q6P179 2/20 0.54
ERAP1 Q9NZ08 2/20 0.54
LMNA P02545 1/20 0.53
BMP1 P13497 1/20 0.53
CASP1 P29466 2/20 0.52
CASP3 P42574 2/20 0.52
CASP7 P55210 2/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
CASP9 P55211 1/20 0.52
CASP6 P55212 1/20 0.52

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
SCHEMBL3072927 0.93 NMBR (0.63) NMBRMAPTGAAHTTPLG
SCHEMBL27738734 0.93 NMBR (0.63) NMBRMAPTGAAHTTPLG
SCHEMBL4941526 0.91 NMBR (0.59) NMBRSIRT5MAPTGAAHTT
SCHEMBL22346514 0.91 NMBR (0.69) NMBRSIRT5MAPTGAAHTT
SCHEMBL10972700 0.91 NMBR (0.61) NMBRMAPTGAAHTTPLG
SCHEMBL22346513 0.91 NMBR (0.69) NMBRSIRT5MAPTGAAHTT
SCHEMBL10968279 0.90 NMBR (0.68) NMBRMAPTGAAHTTPLG
SCHEMBL3065558 0.89 PLG (0.63) NMBRMAPTGAAHTTPLG
SCHEMBL7436159 0.89 NMBR (0.62) NMBRMAPTGAAHTTPLG
SCHEMBL3036857 0.89 NMBR (0.62) NMBRMAPTGAAHTTPLG

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
EP-1789052-A4 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL UNIV LAVAL (CA) 2008-05-21 EP claimed
EP-1789052-A1 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL Université Laval (CA) 2007-05-30 EP claimed
WO-2006026850-A1 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL UNIVERSITE LAVAL (CA) 2006-03-16 WO claimed
WO-2002038141-A9 COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INST TECHNOLOGY (US) 2003-02-13 WO claimed
EP-1253915-A1 METHOD FOR TREATING STRESS WITH A PRECURSOR OF SEROTONIN Massachusetts Institute of Technology (US) 2002-11-06 EP claimed
WO-2002038141-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
WO-2001054681-A2 COMPOSITION FOR TREATMENT OF STRESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-02 WO claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO disclosed
WO-2010028130-A2 ANTIDEPRESSANT COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
EP-1910322-A2 NOVEL BENZO [D][1,3]-DIOXOL DERIVATIVES Concert Pharmaceuticals Inc. (US) 2008-04-16 EP disclosed
WO-2007016431-A2 NOVEL BENZO [D] [1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 WO disclosed
EP-1253915-A1 METHOD FOR TREATING STRESS WITH A PRECURSOR OF SEROTONIN Massachusetts Institute of Technology (US) 2002-11-06 EP disclosed
WO-2001054681-A2 COMPOSITION FOR TREATMENT OF STRESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-02 WO disclosed