SCHEMBL4630125

SCHEMBL4630125

O=C1NCC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CO1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.37
SLC6A4 P31645 10/20 0.37
SLC6A2 P23975 9/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR1 P25103 4/20 0.34
KDM4C Q9H3R0 1/20 0.33
TACR2 P21452 1/20 0.33

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
SCHEMBL4630820 0.94 MEN1 (0.39) SLC6A3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL7765670 0.86 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL6950573 0.85 TACR1 (0.39) SLC6A3SLC6A4SLC6A2TACR1TACR2
SCHEMBL7766689 0.84 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2TACR1TACR2
SCHEMBL8291781 0.84 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2KDM4C
SCHEMBL7956526 0.81 MEN1 (0.38) SLC6A3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL6957304 0.80 SLC6A2 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL7764201 0.79 TACR1 (0.40) SLC6A3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL7077339 0.79 SLC6A4 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL6544366 0.79 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
EP-1156049-B1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2005-06-01 EP disclosed
EP-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
US-6242637-B1 USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-05 US disclosed
US-6011154-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 2000-01-04 US disclosed
US-5977359-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1999-11-02 US disclosed
EP-0915882-A1 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1999-05-19 EP disclosed
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 US disclosed
WO-1998004561-A1 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1998-02-05 WO disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed