SCHEMBL4688022

SCHEMBL4688022

CC(=O)NCCc1c[nH]c2ccc3c(c12)CCCO3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.65
MTNR1B P49286 11/20 0.65
HTR2B P41595 6/20 0.64
HTR2A P28223 5/20 0.64
HTR2C P28335 5/20 0.64
HTR1A P08908 5/20 0.64
HTR1D P28221 3/20 0.64
HTR6 P50406 2/20 0.57
HTR4 Q13639 2/20 0.57
ADRA2A P08913 1/20 0.57
ADRA2C P18825 1/20 0.57
HTR1B P28222 1/20 0.57
HTR7 P34969 1/20 0.57
NQO2 P16083 2/20 0.48
CYP1A2 P05177 3/20 0.47
BLM P54132 3/20 0.47
NOTUM Q6P988 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47

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
SCHEMBL1567786 0.89 HTR2A (0.61) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL8397290 0.89 HTR2A (0.61) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL1567072 0.87 HTR2A (0.59) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL8169370 0.86 HTR2A (0.60) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL7000777 0.86 HTR2A (0.73) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL8169504 0.85 HTR2A (0.59) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL31105674 0.83 HTR2A (0.68) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL1567074 0.80 HTR2C (0.64) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL1387212 0.79 MTNR1A (1.00) MTNR1AMTNR1BHTR2BHTR2CNQO2
SCHEMBL7797256 0.79 MTNR1A (1.00) MTNR1AMTNR1BHTR2CNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885210-B2 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA PHARMACEUTICAL (JP) 2008-06-18 EP disclosed
EP-1550655-A1 Bicyclic intermediates Takeda Pharmaceutical Company Limited (JP) 2005-07-06 EP disclosed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP 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
EP-0708099-B1 Tricyclic amide compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-11-28 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-6071946-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM, SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS ADIR ET COMPAGNIE (FR) 2000-06-06 US disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 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
EP-0708099-A1 Tricyclic amide compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-04-24 EP disclosed