SCHEMBL4749570

SCHEMBL4749570

COc1ccc2c(CCN)cccc2c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
DHODH Q02127 1/20 0.56
ADRA1A P35348 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HTR2A P28223 2/20 0.54
SIGMAR1 Q99720 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
Ethylamine SCHEMBL9591137 0.97 MTNR1A (0.58) MTNR1AMTNR1BDHODHADRA1ATAAR1
SCHEMBL29594789 0.87 HTR2A (0.68) MTNR1AMTNR1BHTR2A
SCHEMBL124465 0.87 HTR2A (0.68) MTNR1AMTNR1BHTR2A
SCHEMBL15345391 0.87 MTNR1A (0.56) MTNR1AMTNR1BSIGMAR1
Bromide SCHEMBL15661932 0.86 HTR2A (0.67) MTNR1AMTNR1BHTR2A
Hydrochloric Acid SCHEMBL577758 0.86 HTR2A (0.67) MTNR1AMTNR1BHTR2A
Hydrochloric Acid SCHEMBL29421606 0.86 HTR2A (0.67) MTNR1AMTNR1BHTR2A
SCHEMBL7193761 0.84 MTNR1A (0.64) MTNR1AMTNR1BDHODHHTR2ASIGMAR1
SCHEMBL27626620 0.84 MTNR1A (0.60) MTNR1AMTNR1BHTR2ASIGMAR1
SCHEMBL20562784 0.82 TAAR1 (0.51) ADRA1ATAAR1HTR2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008141033-A1 SUBSTITUTED NAPHTHALENES AUSPEX PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US 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
EP-0530087-B1 Naphthylethylurea and naphthylethylthiourea compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-05-03 EP 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
US-5318994-A Treating melatoninergic disorders ADIR ET COMPAGNIE (FR) 1994-06-07 US disclosed
US-5225442-A Melatoninergic disorders ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed
EP-0447285-B1 NAPHTHALENE DERIVATIVES, PROCEDURE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-05-12 EP disclosed
EP-0530087-A1 Naphthylethylurea and naphthylethylthiourea compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-03 EP disclosed
EP-0447285-A1 Naphthalene derivatives, procedure for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-09-18 EP disclosed
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-3992384-A NON-ESTROGENIC ANTIFERTILITY AGENTS SANDOZ, INC. (US) 1976-11-16 US disclosed