SCHEMBL1774151

SCHEMBL1774151

COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 1.00
MTNR1A P48039 17/20 0.76
MTNR1B P49286 17/20 0.76
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
TSHR P16473 1/20 0.74
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 2/20 0.73
HPGD P15428 2/20 0.73
HSD17B10 Q99714 2/20 0.73
POLB P06746 1/20 0.73
MDM2 Q00987 1/20 0.73

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
SCHEMBL31530480 0.86 MTNR1A (0.78) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31543713 0.86 MTNR1A (1.00) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL8946916 0.86 MTNR1A (1.00) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL5439854 0.86 MTNR1A (0.78) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31530479 0.86 MTNR1A (0.78) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL3221458 0.85 KDM4E (0.84) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
Iodomelatonin SCHEMBL29759473 0.85 MTNR1A (0.76) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL1311849 0.85 MTNR1A (1.00) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
Iodomelatonin SCHEMBL163451 0.85 MTNR1A (1.00) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL8686010 0.84 MTNR1A (0.77) NQO2MTNR1AMTNR1BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008325-A1 ISCHEMIA/REPERFUSION PROTECTION COMPOSITIONS AND METHODS OF USING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-14 US claimed
EP-0513702-B1 Melatonin derivaties for use in the therapy of sleep disorders and in pre-anaesthetic medication I F L O ISTITUTO FARMACOLOGICO (IT) 1996-09-18 EP claimed
US-5430029-A Pharmaceutical compositions active in the therapy of sleep disorders IFLO-ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. DI GIORGIO E ALD. LAGUZZI (IT) 1995-07-04 US claimed
EP-0513702-A2 Melatonin derivaties for use in the therapy of sleep disorders and in pre-anaesthetic medication I.F.L.O. ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. di Giorgio & Aldo Laguzzi & C. (IT) 1992-11-19 EP claimed
US-10307398-B2 Resuscitation composition and methods of making and using REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-06-04 US disclosed
US-20180104218-A1 RESUSCITATION COMPOSITION AND METHODS OF MAKING AND USING REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-04-19 US disclosed
US-20160008325-A1 ISCHEMIA/REPERFUSION PROTECTION COMPOSITIONS AND METHODS OF USING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-14 US disclosed
US-9186340-B2 Ischemia/reperfusion protection compositions and methods of using REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-11-17 US disclosed
US-9149450-B2 Ischemia/reperfusion protection compositions and methods of using REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-10-06 US disclosed
US-20140235690-A1 ISCHEMIA/REPERFUSION PROTECTION COMPOSITIONS AND METHODS OF USING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-08-21 US disclosed
US-8728532-B2 Ischemia/reperfusion protection compositions and methods of using REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-20 US disclosed
US-20110111049-A1 Ischemia/reperfusion protection compositions and methods of using NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-05-12 US disclosed
US-6178416-B1 Method and apparatus for knowledgebase searching Parker, James U. 2001-01-23 US disclosed
WO-1999066378-A2 METHOD AND APPARATUS FOR KNOWLEDGEBASE SEARCHING SOCRATIX SYSTEMS, INC. (US) 1999-12-23 WO disclosed
EP-0513702-B1 Melatonin derivaties for use in the therapy of sleep disorders and in pre-anaesthetic medication I F L O ISTITUTO FARMACOLOGICO (IT) 1996-09-18 EP disclosed
US-5430029-A Pharmaceutical compositions active in the therapy of sleep disorders IFLO-ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. DI GIORGIO E ALD. LAGUZZI (IT) 1995-07-04 US disclosed
US-5430029-A Pharmaceutical compositions active in the therapy of sleep disorders IFLO-ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. DI GIORGIO E ALD. LAGUZZI (IT) 1995-07-04 US disclosed
EP-0513702-A3 MELATONIN DERIVATIES FOR USE IN THE THERAPY OF SLEEP DISORDERS AND IN PRE-ANAESTHETIC MEDICATION I.F.L.O. ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. di Giorgio & Aldo Laguzzi & C. (IT) 1992-11-25 EP disclosed
EP-0513702-A2 Melatonin derivaties for use in the therapy of sleep disorders and in pre-anaesthetic medication I.F.L.O. ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. di Giorgio & Aldo Laguzzi & C. (IT) 1992-11-19 EP disclosed
EP-0513702-A2 Melatonin derivaties for use in the therapy of sleep disorders and in pre-anaesthetic medication I.F.L.O. ISTITUTO FARMACOLOGICO LOMBARDO S.A.S. di Giorgio & Aldo Laguzzi & C. (IT) 1992-11-19 EP disclosed