SCHEMBL7103988

SCHEMBL7103988

NCCc1cccc2ccc(O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.57
MTNR1B P49286 1/20 0.57
NQO2 P16083 3/20 0.52
HTR2C P28335 3/20 0.50
TAAR1 Q96RJ0 3/20 0.50
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
DRD1 P21728 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50

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
Bromide SCHEMBL7245774 0.98 MTNR1A (0.56) MTNR1AMTNR1BNQO2HTR2CTAAR1
Hydrochloric Acid SCHEMBL15661933 0.98 MTNR1A (0.56) MTNR1AMTNR1BNQO2HTR2CTAAR1
SCHEMBL20198676 0.88 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR2CTAAR1
SCHEMBL12676044 0.85 MTNR1A (0.53) MTNR1AMTNR1BNQO2TAAR1CYP1A2
SCHEMBL13523853 0.83 TAAR1 (0.47) MTNR1AMTNR1BNQO2HTR2CTAAR1
SCHEMBL14714354 0.82 MTNR1A (0.57) MTNR1AMTNR1BNQO2CYP1A2HTR5A
SCHEMBL1034405 0.81 MTNR1A (0.55) MTNR1AMTNR1BNQO2CYP1A2HTR5A
SCHEMBL29281062 0.80 TAAR1 (0.52) MTNR1AMTNR1BHTR2CTAAR1HTR1A
SCHEMBL26061042 0.79 MTNR1A (0.55) MTNR1AMTNR1BNQO2HTR2CCYP1A2
SCHEMBL8020797 0.79 MTNR1A (0.67) MTNR1AMTNR1BNQO2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909166-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2015-08-26 EP claimed
WO-2014064706-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-05-01 WO claimed
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
EP-2909166-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2015-08-26 EP disclosed
WO-2014064706-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-05-01 WO disclosed
WO-2014064706-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-05-01 WO disclosed
EP-1038863-B1 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2003-06-04 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
EP-1038863-A2 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof ADIR ET COMPAGNIE (FR) 2000-09-27 EP disclosed
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US disclosed
US-5843986-A Tricyclic amide compounds ADIR ET COMPAGNIE (FR) 1998-12-01 US disclosed
US-5668180-A MELATONINERGIC SYSTEM FOR CARDIAC ARRHYTHMIA AND ENDOCRINE FUNCTIONS AND CENTRAL NERVOUS SYSTEM FOR ANTIPSYCHOTIC AGENTS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed
EP-0745583-A1 Alkoxy aryl compounds with affinity to the melatonine receptors, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP 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
EP-0562956-B1 Naphtylalkylamines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-09-27 EP disclosed
US-5449689-A Treating melatoninergic system disorders ADIR ET COMPAGNIE (FR) 1995-09-12 US disclosed
US-5449690-A Antihypercholesterol anf melatonin antagonist ADIR ET COMPAGNIE (FR) 1995-09-12 US disclosed
US-5389683-A Useful in treating or preventing a disorder of the melatoninergic system ADIR ET COMPAGNIE (FR) 1995-02-14 US disclosed
US-5385944-A Naphthylethylureas and naphthylethylthioureas ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
EP-0562956-A1 Naphtylalkylamines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-09-29 EP disclosed