Melatonin

Melatonin

SCHEMBL3998646

COc1ccc2[nH]cc(CCNC(C)=O)c2c1.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.58

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 10/20 0.58
▸ MTNR1B known ✓ P49286 8/20 0.58
▸ TDP1 Q9NUW8 5/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CYP1A1 P04798 1/20 0.58
▸ MPO P05164 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NQO2 P16083 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ CYP1B1 Q16678 1/20 0.58

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 SCHEMBL17799776 0.78 MTNR1A (0.78) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL4686085 0.76 MTNR1A (1.00) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL8060688 0.76 MTNR1A (1.00) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL29349848 0.76 MTNR1A (1.00) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL19018 0.76 MTNR1A (1.00) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL28743439 0.75 MTNR1A (0.97) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL3845735 0.75 MTNR1A (0.97) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL28895534 0.75 MTNR1A (0.97) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL28400730 0.75 MTNR1A (0.97) MTNR1AMTNR1BTDP1KMT2AMEN1
Melatonin SCHEMBL8850894 0.75 MTNR1A (0.97) MTNR1AMTNR1BTDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009073686-A1 AGENT DELIVERY SYSTEM AND USES OF THE SAME TRANS DERMAL PATENTS COMPANY, LLC (US) 2009-06-11 — — WO disclosed
US-20090143761-A1 AGENT DELIVERY SYSTEM AND USES OF SAME TRANSDERMAL PATENTS COMPANY, LLC (US) 2009-06-04 — — US disclosed
EP-1893278-A2 AGENT DELIVERY SYSTEM Trans-Dermal Patents Company, LLC (US) 2008-03-05 — — EP disclosed
WO-2006133101-A9 AGENT DELIVERY SYSTEM TRANS DERMAL PATENTS COMPANY L (US) 2007-03-15 — — WO disclosed
WO-2006133101-A2 AGENT DELIVERY SYSTEM TRANS-DERMAL PATENTS COMPANY, LLC (US) 2006-12-14 — — WO disclosed
WO-2006133103-A2 RESERVOIR FOR DELIVERY OF AGENTS TRANS-DERMAL PATENTS COMPANY, LLC (US) 2006-12-14 — — WO disclosed
WO-2006133102-A2 AGENT DELIVERY SYSTEM AND USES OF THE SAME TRANS-DERMAL PATENTS COMPANY, LLC (US) 2006-12-14 — — WO disclosed
US-20050175505-A1 Personal monitor to detect exposure to toxic agents CANTOR HAL C (US) 2005-08-11 — — US disclosed
EP-1495106-A2 PERSONAL MONITOR TO DETECT EXPOSURE TO TOXIC AGENTS Advanced Sensor Technologies, Inc. (US) 2005-01-12 — — EP disclosed
WO-2004023105-A2 PERSONAL MONITOR TO DETECT EXPOSURE TO TOXIC AGENTS ADVANCED SENSOR TECHNOLOGIES, INC. (US) 2004-03-18 — — WO disclosed
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