SCHEMBL4630746

SCHEMBL4630746

O=C(OCCC1(c2ccc(F)c(F)c2)CN(Cc2ccccc2)C(=O)CO1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.36
PKM P14618 1/20 0.33
RIPK1 Q13546 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
BCHE P06276 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL4630844 0.91 ADRB2 (0.37) TACR2SLC6A2SLC6A3TACR1USP2
SCHEMBL4630131 0.85 HSD11B1 (0.36) TACR2TACR1TACR3PTGDR2
SCHEMBL7744623 0.83 TACR1 (0.39) TACR2TACR1TACR3
SCHEMBL27390996 0.83 TACR2 (0.45) TACR2LMNAPOLB
SCHEMBL4630779 0.83 TACR2 (0.34) TACR2TACR1TACR3
SCHEMBL5703559 0.82 TACR1 (0.37) TACR2SMN1; SMN2SLC6A2SLC6A3TACR1
SCHEMBL4631741 0.78 SIRT2 (0.37) SLC6A2SLC6A3TACR1USP2LMNA
SCHEMBL4630747 0.78 TDP1 (0.36) TACR2TDP1SMN1; SMN2L3MBTL1SLC6A2
SCHEMBL4631282 0.77 TACR2 (0.58) TACR2RIPK1TDP1USP2
SCHEMBL4631251 0.75 TACR1 (0.40) TACR2TACR1TACR3

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 10 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-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