Melatonin

Melatonin

SCHEMBL4686085

COc1ccc2[nH]cc(CCNC(C)=O)c2c1.COc1ccc2[nH]cc(CCNC(C)=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MTNR1AMTNR1B

The experimentally established mechanism targets of Melatonin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A known ✓ P48039 13/20 1.00
MTNR1B known ✓ P49286 10/20 1.00
KMT2A Q03164 3/20 1.00
ALDH1A1 P00352 3/20 1.00
KDM4E B2RXH2 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
HPGD P15428 2/20 1.00
BLM P54132 2/20 1.00
NOTUM Q6P988 2/20 1.00
MEN1 O00255 2/20 1.00
CYP1A1 P04798 1/20 1.00
MPO P05164 1/20 1.00
HTR1A P08908 1/20 1.00
NQO2 P16083 1/20 1.00
HTR2B P41595 1/20 1.00
RAB9A P51151 1/20 1.00
PMP22 Q01453 1/20 1.00
CYP1B1 Q16678 1/20 1.00

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
Melatonin SCHEMBL8060688 1.00 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL29349848 1.00 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL19018 1.00 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL28743439 0.99 MTNR1A (0.97) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL28602603 0.99 MTNR1A (0.97) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL28994307 0.99 MTNR1A (0.97) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL3845735 0.99 MTNR1A (0.97) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL8850894 0.99 MTNR1A (0.97) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL29153193 0.99 MTNR1A (0.97) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
Melatonin SCHEMBL28400730 0.99 MTNR1A (0.97) MTNR1AMTNR1BKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1935227-A Medicine composition for improving sleep SSP CO LTD (JP) 2007-03-28 CN claimed
WO-2024058984-A2 METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES MarvelBiome, Inc. (US) 2024-03-21 WO disclosed
CN-117210388-A Goat and sheep intestine organoid culture medium and application thereof 内蒙古大学 2023-12-12 CN disclosed
EP-3621462-A1 COMPOSITION FOR ENHANCED ABSORPTION OF SUPPLEMENTS The Liv Group Inc. (US) 2020-03-18 EP disclosed
WO-2018209327-A1 COMPOSITION FOR ENHANCED ABSORPTION OF SUPPLEMENTS The LIV Group Inc. (US) 2018-11-15 WO disclosed
EP-3377896-A1 HIGH-THROUGHPUT IMAGING-BASED METHODS FOR PREDICTING CELL-TYPE-SPECIFIC TOXICITY OF XENOBIOTICS WITH DIVERSE CHEMICAL STRUCTURES Agency For Science, Technology And Research (SG) 2018-09-26 EP disclosed
WO-2018118197-A1 HEALTHIER AGING IN DOMESTICATED ANIMALS POSTREL RICHARD (US) 2018-06-28 WO disclosed
CN-108065241-A Lactagogue chicken stewes mushroom 倪世昌 2018-05-25 CN disclosed
EP-3258910-A1 TOPICAL LIQUID COMPOSITION COMPRISING MELATONIN Ares Trading S.A. (CH) 2017-12-27 EP disclosed
WO-2017091147-A1 HIGH-THROUGHPUT IMAGING-BASED METHODS FOR PREDICTING CELL-TYPE-SPECIFIC TOXICITY OF XENOBIOTICS WITH DIVERSE CHEMICAL STRUCTURES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-01 WO disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 EP disclosed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
US-6207190-B1 SYNERGISTIC MIXTURE TO REDUCE OCULAR PRESSURE AND IMPROVE VASCULAR HEALTH COMPRISING FOLIC ACID, A MAGNESIUM SALT, ALPHA-TOCOPHEROL, ASCORBATE AND ALPHA-LIPOIC ACID CHRONORX, LLC 2001-03-27 US disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO disclosed
WO-1995003043-A1 SUSTAINED RELEASE ORAL COMPOSITIONS CONTAINING MELATONIN STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1995-02-02 WO disclosed
US-5196435-A Melatonin derivatives and combinations with antiestrogen compounds for treating mammalian breast carcinoma ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
US-5023270-A 5-Methoxypsoralen administered at bedtime GOUPIL JEAN JACQUES (FR) 1991-06-11 US disclosed
EP-0305194-A2 Veterinary composition SCHERING AGROCHEMICALS LIMITED (GB) 1989-03-01 EP disclosed