SCHEMBL4630862

SCHEMBL4630862

CC(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(Cc3ccccc3)C(=O)CO2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.56
TACR3 P29371 15/20 0.48
TACR1 P25103 5/20 0.43

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
Hydrochloric Acid SCHEMBL7744601 0.98 TACR2 (0.55) TACR2TACR3TACR1
Hydrochloric Acid SCHEMBL7744599 0.98 TACR2 (0.55) TACR2TACR3TACR1
SCHEMBL1382630 0.87 TACR2 (0.57) TACR2TACR3TACR1
SCHEMBL4630836 0.86 TACR3 (0.58) TACR2TACR3TACR1
Hydrochloric Acid SCHEMBL7744611 0.85 TACR3 (0.57) TACR2TACR3TACR1
SCHEMBL1384573 0.82 TACR2 (0.51) TACR2TACR3TACR1
SCHEMBL1381405 0.82 TACR2 (0.50) TACR2TACR3TACR1
SCHEMBL15190174 0.82 TACR2 (0.52) TACR2TACR3TACR1
SCHEMBL4630108 0.81 TACR3 (0.51) TACR2TACR3TACR1
SCHEMBL4630046 0.81 TACR1 (0.50) TACR2TACR3TACR1

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 7 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
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed