SCHEMBL8023255

SCHEMBL8023255

COc1ccc2cccc(CCC#N)c2c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.63
MTNR1A P48039 14/20 0.59
MTNR1B P49286 3/20 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
SCHEMBL8021503 0.92 MTNR1A (0.62) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL30449882 0.85 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL989652 0.85 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL28070559 0.85 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL14005971 0.82 HTR2A (0.56) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL827963 0.81 HTR2A (0.70) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL27818041 0.81 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL1882845 0.80 HTR2A (0.68) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL14714813 0.80 HTR2A (0.68) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL29594789 0.80 HTR2A (0.68) HTR2AMTNR1AMTNR1BHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102161658-B N-(naphthoxyalkyl)heteroarylpiperidine compounds and preparation method and applications thereof ZHEJIANG HUAHAI PHARM CO LTD 2015-05-27 CN disclosed
EP-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP disclosed
EP-0745584-B1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-01-05 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
US-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 US disclosed
EP-0745584-A1 Arylalkyl(thio) carboxamides compounds with affinity for melatonine receptors, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP 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