SCHEMBL4630229

SCHEMBL4630229

CC(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(Cc3ccccc3)C(=O)N2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 16/20 0.52
TACR1 P25103 5/20 0.52
TACR2 P21452 4/20 0.52

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 SCHEMBL7750409 0.99 TACR3 (0.51) TACR3TACR1TACR2
SCHEMBL4630026 0.93 TACR3 (0.51) TACR3TACR1TACR2
Hydrochloric Acid SCHEMBL7744620 0.92 TACR3 (0.51) TACR3TACR1TACR2
SCHEMBL4630805 0.81 TACR1 (0.56) TACR3TACR1TACR2
Hydrochloric Acid SCHEMBL7751941 0.81 TACR1 (0.56) TACR3TACR1TACR2
SCHEMBL4630836 0.80 TACR3 (0.58) TACR3TACR1TACR2
SCHEMBL4630788 0.79 TACR3 (0.61) TACR3TACR1TACR2
Hydrochloric Acid SCHEMBL7744611 0.79 TACR3 (0.57) TACR3TACR1TACR2
SCHEMBL4630843 0.79 TACR1 (0.47) TACR3TACR1TACR2
Hydrochloric Acid SCHEMBL7750105 0.79 TACR3 (0.60) TACR3TACR1TACR2

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 5 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
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed