SCHEMBL8021722

SCHEMBL8021722

COc1ccc2cccc(CCCCN)c2c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.69
HTR2A P28223 3/20 0.63
MTNR1B P49286 2/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
NQO2 P16083 1/20 0.54

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
SCHEMBL8021697 0.95 MTNR1A (0.71) MTNR1AHTR2AMTNR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL8571210 0.94 MTNR1A (0.69) MTNR1AHTR2AMTNR1BHTR2CHTR2B
SCHEMBL124465 0.89 HTR2A (0.68) MTNR1AHTR2AMTNR1BHTR2CHTR2B
SCHEMBL29594789 0.89 HTR2A (0.68) MTNR1AHTR2AMTNR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL29421606 0.88 HTR2A (0.67) MTNR1AHTR2AMTNR1BHTR2CHTR2B
Bromide SCHEMBL15661932 0.88 HTR2A (0.67) MTNR1AHTR2AMTNR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL577758 0.88 HTR2A (0.67) MTNR1AHTR2AMTNR1BHTR2CHTR2B
Carbon Dioxide SCHEMBL14861874 0.84 MTNR1A (0.65) MTNR1AHTR2AMTNR1BHTR2CHTR2B
SCHEMBL8012835 0.84 MTNR1A (0.71) MTNR1AHTR2AMTNR1BHTR2CHTR2B
SCHEMBL29032209 0.84 HTR2A (0.65) MTNR1AHTR2AMTNR1BHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322508-B1 PROCESS FOR THE MANUFACTURE OF AGOMELATINE AND ITS INTERMEDIATE NHWA PHARMA CORP (CN) 2013-01-02 EP claimed
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
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed