SCHEMBL4631124

SCHEMBL4631124

CS(=O)(=O)OCCC1(c2ccc(F)c(F)c2)CN(C(=O)c2ccccc2)CCO1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.59
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
RORC P51449 2/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6963472 0.92 TACR2 (0.56) TACR2CHRM2CHRM3RORCALDH1A1
SCHEMBL4631148 0.88 TACR2 (0.46) TACR2ALDH1A1TSHR
SCHEMBL4630697 0.87 TACR2 (0.50) TACR2CHRM2CHRM3
SCHEMBL4631282 0.87 TACR2 (0.58) TACR2CHRM2CHRM3ALDH1A1HPGD
SCHEMBL27418055 0.87 TACR2 (0.58) TACR2CHRM2CHRM3ALDH1A1
SCHEMBL4631267 0.85 TACR2 (0.62) TACR2CHRM2CHRM3ALDH1A1CNR1
SCHEMBL27418056 0.85 TACR2 (0.59) TACR2CHRM2CHRM3ALDH1A1LMNA
SCHEMBL4630839 0.82 TACR2 (0.49) TACR2CHRM2CHRM3
SCHEMBL6963478 0.81 TACR2 (0.52) TACR2CHRM2CHRM3RORCALDH1A1
SCHEMBL4630712 0.81 TACR2 (0.59) TACR2CHRM2CHRM3ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 US claimed
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-1140923-B1 METHOD FOR PREPARING (R)- (+) -3 1- 2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL -1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI SYNTHELABO (FR) 2003-03-05 EP disclosed
EP-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
US-6392039-B1 COUPLING; SALT FORMATION SANOFI-SYNTHELABO (FR) 2002-05-21 US 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
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