SCHEMBL4630722

SCHEMBL4630722

O=C1OCC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.38
TACR2 P21452 3/20 0.35
P2RX3 P56373 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
SCHEMBL4630790 0.90 TACR1 (0.44) TACR1TACR2
SCHEMBL7765734 0.89 TACR1 (0.40) TACR1TACR2
SCHEMBL4631281 0.85 TACR1 (0.45) TACR1TACR2
SCHEMBL8484370 0.83 TACR1 (0.50) TACR1TACR2
SCHEMBL4630795 0.81 TACR1 (0.40) TACR1TACR2
SCHEMBL4631293 0.81 TACR1 (0.37) TACR1TACR2
SCHEMBL4630597 0.81 P2RX3 (0.36) TACR1TACR2P2RX3
SCHEMBL7956549 0.78 TACR1 (0.49) TACR1
SCHEMBL4631735 0.78 TACR1 (0.47) TACR1TACR2
SCHEMBL8478723 0.78 TACR1 (0.41) TACR1TACR2

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 12 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
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