SCHEMBL3046095

SCHEMBL3046095

CC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.54
POLB P06746 6/20 0.54
ERAP2 Q6P179 2/20 0.54
IL1RN P18510 1/20 0.54
NHERF1 O14745 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL27717526 1.00 GAA (0.54) GAAPOLBERAP2IL1RNNHERF1
SCHEMBL27717518 0.95 BLM (0.58) GAAPOLBKDM4EALDH1A1LMNA
SCHEMBL3078225 0.95 BLM (0.58) GAAPOLBKDM4EALDH1A1LMNA
SCHEMBL3043368 0.90 NPSR1 (0.63) GAAPOLBKDM4EALDH1A1LMNA
SCHEMBL19252917 0.90 NPSR1 (0.63) GAAPOLBKDM4EALDH1A1LMNA
SCHEMBL16626133 0.86 IL1RN (0.56) GAAPOLBERAP2IL1RNKDM4E
SCHEMBL5525292 0.85 HTR1A (0.54) GAAPOLBKDM4EALDH1A1LMNA
SCHEMBL3065558 0.85 PLG (0.63) GAAERAP2IL1RNLMNAMAPT
Hydrochloric Acid SCHEMBL10974836 0.84 BLM (0.66) GAAPOLBERAP2IL1RNNHERF1
SCHEMBL15692342 0.83 ACE (0.69) ALOX15KMT2APLAUPLAURACE

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 49 patents — showing the first 20. 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
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US 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
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-1789052-A4 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL UNIV LAVAL (CA) 2008-05-21 EP claimed
US-20080096847-A1 Composition And Method For Inducing Or Restoring Locomotor Functions In An Animal UNIVERSITE LAVAL 2008-04-24 US 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
US-20030187055-A1 Synergistic pharmaceutical combinations for treating obesity BANK OF AMERICA, N.A., AS AGENT 2003-10-02 US claimed
US-20030162725-A1 Synergistic pharmaceutical combinations for treating obesity with EGCG BANK OF AMERICA, N.A., AS AGENT 2003-08-28 US claimed
US-6579899-B1 Precursor or prodrug of serotonin, tryptophan or 5-hydroxytryptophan MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-06-17 US claimed
WO-2002038141-A9 COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INST TECHNOLOGY (US) 2003-02-13 WO claimed
US-20020173549-A1 Compositions and methods for treatment of mild cognitive impairment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-21 US 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
US-9315483-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
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-2001054681-A2 COMPOSITION FOR TREATMENT OF STRESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-02 WO disclosed
US-4518587-A NERVOUS SYSTEM DISORDERS S.A. PANMEDICA (FR) 1985-05-21 US disclosed