SCHEMBL4631643

SCHEMBL4631643

CC(C)Oc1cccc(CC(=O)N2CCOC(CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.54
TACR1 P25103 1/20 0.54

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
Water SCHEMBL7750477 0.99 TACR2 (0.53) TACR2TACR1
SCHEMBL4631718 0.90 TACR2 (0.43) TACR2TACR1
SCHEMBL4630817 0.89 TACR2 (0.40) TACR2TACR1
Water SCHEMBL7749164 0.89 TACR2 (0.42) TACR2TACR1
Hydrochloric Acid SCHEMBL7750114 0.88 TACR2 (0.40) TACR2TACR1
Nolpitantium SCHEMBL2142512 0.86 TACR2 (0.62) TACR2TACR1
Nolpitantium SCHEMBL29388081 0.86 TACR2 (0.62) TACR2TACR1
Nolpitantium SCHEMBL6350205 0.86 TACR2 (0.62) TACR2TACR1
Nolpitantium SCHEMBL7561842 0.86 TACR2 (0.61) TACR2TACR1
Nolpitantium SCHEMBL1650319 0.86 TACR2 (0.61) TACR2TACR1

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