SCHEMBL4630154

SCHEMBL4630154

CC(C)Oc1cccc(CC(=O)N2CCOC(CCN3CCC(N4CCCCC4)CC3)(c3ccc(F)c(F)c3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.43
TACR2 P21452 2/20 0.43
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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 SCHEMBL7751898 0.99 TACR1 (0.42) TACR1TACR2HRH1HRH3CYP2D6
Hydrochloric Acid SCHEMBL7751894 0.99 TACR1 (0.42) TACR1TACR2HRH1HRH3CYP2D6
SCHEMBL8883910 0.86 TACR1 (0.57) TACR1TACR2HRH1
SCHEMBL8883648 0.86 TACR1 (0.57) TACR1TACR2HRH1
SCHEMBL9027966 0.86 TACR1 (0.53) TACR1TACR2HRH1
SCHEMBL9027371 0.86 TACR1 (0.53) TACR1TACR2HRH1
SCHEMBL4630858 0.84 TACR2 (0.43) TACR1TACR2HRH1
SCHEMBL9027863 0.81 TACR1 (0.53) TACR1TACR2HRH1
SCHEMBL9026690 0.81 TACR1 (0.57) TACR1TACR2HRH1
SCHEMBL8882615 0.81 TACR1 (0.57) TACR1TACR2HRH1

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 6 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-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