SCHEMBL4630747

SCHEMBL4630747

O=C1COC(CCOC(=O)c2ccccc2)(c2ccc(F)c(F)c2)CN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.34
TACR2 P21452 1/20 0.34
PLA2G7 Q13093 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.33
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
ATM Q13315 1/20 0.31
ICMT O60725 1/20 0.31
PGR P06401 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL4631269 0.86 SLC6A2 (0.36) TDP1LMNATACR2MEN1KMT2A
SCHEMBL4630047 0.86 TDP1 (0.37) TDP1LMNATACR2PLA2G7SMN1; SMN2
SCHEMBL4630553 0.83 TACR2 (0.37) TDP1LMNATACR2PLA2G7BACE1
SCHEMBL4630791 0.80 TDP1 (0.40) TDP1LMNATACR2SLC6A2SLC6A3
SCHEMBL4630746 0.78 TACR2 (0.36) TDP1LMNATACR2SMN1; SMN2USP2
SCHEMBL27487665 0.77 BACE1 (0.35) TDP1LMNATACR2PLA2G7BACE1
SCHEMBL4631282 0.74 TACR2 (0.58) TDP1TACR2USP2
SCHEMBL4630844 0.74 ADRB2 (0.37) TACR2USP2SLC6A2SLC6A3
SCHEMBL27390996 0.73 TACR2 (0.45) LMNATACR2
SCHEMBL4663969 0.71 SLC6A2 (0.38) TDP1LMNATACR2SMN1; SMN2MEN1

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-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-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 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
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