SCHEMBL4631723

SCHEMBL4631723

O=C(Cc1cccc(Cl)c1)N1CCOC(CCO)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
SIGMAR1 Q99720 1/20 0.40
ATM Q13315 1/20 0.40
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL6663124 0.91 KMT2A (0.47) KMT2ASLC6A2SLC6A4SIGMAR1TACR2
SCHEMBL4941690 0.87 KDM4E (0.44) KMT2ASLC6A2SLC6A4TACR2MEN1
SCHEMBL4630875 0.87 TACR2 (0.55) KMT2ATACR2TACR1
SCHEMBL7493798 0.87 TACR2 (0.55) KMT2ATACR2TACR1
SCHEMBL4631235 0.86 KMT2A (0.41) KMT2ATACR2TACR1MEN1
SCHEMBL6667597 0.85 KMT2A (0.46) KMT2ASLC6A2SLC6A4TACR2TACR1
SCHEMBL6665246 0.85 KMT2A (0.46) KMT2ASLC6A2SLC6A4TACR2TACR1
SCHEMBL4630770 0.85 KMT2A (0.41) KMT2ASIGMAR1ATMTACR2TACR1
SCHEMBL7501722 0.85 TACR2 (0.52) KMT2ATACR2TACR1
SCHEMBL3985942 0.84 KMT2A (0.44) KMT2ASLC6A2SLC6A4TACR1MEN1

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 11 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
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
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