SCHEMBL4630820

SCHEMBL4630820

O=C1NCC(CCCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CO1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 12/20 0.35
SLC6A4 P31645 10/20 0.35
SLC6A2 P23975 9/20 0.35
TACR1 P25103 4/20 0.35
TACR2 P21452 2/20 0.34
KDM4C Q9H3R0 1/20 0.32
KCNA5 P22460 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL4630125 0.94 SLC6A3 (0.37) MEN1KMT2ASLC6A3SLC6A4SLC6A2
SCHEMBL7956526 0.87 MEN1 (0.38) MEN1KMT2ASLC6A3SLC6A4SLC6A2
SCHEMBL7764201 0.85 TACR1 (0.40) MEN1KMT2ASLC6A3SLC6A4SLC6A2
SCHEMBL6544366 0.84 SLC6A3 (0.38) MEN1KMT2ASLC6A3SLC6A4SLC6A2
SCHEMBL7947168 0.81 SLC6A2 (0.48) SLC6A3SLC6A4SLC6A2
SCHEMBL7765670 0.81 SLC6A3 (0.39) MEN1KMT2ASLC6A3SLC6A4SLC6A2
SCHEMBL8290900 0.80 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL6950573 0.79 TACR1 (0.39) SLC6A3SLC6A4SLC6A2TACR1TACR2
SCHEMBL7751548 0.79 SLC6A4 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL14144423 0.79 MEN1 (0.36) MEN1KMT2ATACR1TACR2KDM4C

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
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-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