SCHEMBL8031017

SCHEMBL8031017

COc1ccc2cccc(CCCNC(C)=O)c2c1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.86
MTNR1B P49286 9/20 0.86
HTR2C P28335 1/20 0.86
HTR2B P41595 1/20 0.86
NQO2 P16083 1/20 0.67

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
Agomelatine SCHEMBL29930659 0.92 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL27844916 0.92 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL1158495 0.92 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL114476 0.92 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL1289524 0.91 MTNR1A (0.97) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL27785485 0.91 MTNR1A (0.97) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL28116100 0.91 MTNR1A (0.97) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL28522576 0.91 MTNR1A (0.97) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL27855409 0.91 MTNR1A (0.97) MTNR1AMTNR1BHTR2CHTR2BNQO2
Agomelatine SCHEMBL2371196 0.90 MTNR1A (0.95) MTNR1AMTNR1BHTR2CHTR2BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP claimed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US claimed
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP claimed
JP-9003016-A None JP disclosed
EP-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP disclosed
US-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed
JP-H093016-A NEW ARYL (ALKYL) PROPYLAMIDE, ITS PRODUCTION AND MEDICINE COMPOSITION CONTAINING THE SAME ADIR 1997-01-07 JP disclosed
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed