SCHEMBL4630854

SCHEMBL4630854

O=C1COC(CCN2CCC(N3CCCCC3)CC2)(c2ccc(F)c(F)c2)CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.41
HRH3 Q9Y5N1 1/20 0.37
SLC6A4 P31645 1/20 0.37
MCHR1 Q99705 1/20 0.34

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 SCHEMBL7750332 0.98 TACR1 (0.40) TACR1HRH3SLC6A4MCHR1
Hydrochloric Acid SCHEMBL7750324 0.98 TACR1 (0.40) TACR1HRH3SLC6A4MCHR1
SCHEMBL7750393 0.81 ADRB2 (0.39) TACR1
SCHEMBL4631763 0.76 ADRB2 (0.36) TACR1
SCHEMBL4630844 0.73 ADRB2 (0.37) TACR1SLC6A4
SCHEMBL4631313 0.72 ADRB2 (0.37) TACR1
SCHEMBL8884105 0.72 TACR1 (0.48) TACR1SLC6A4
SCHEMBL8884092 0.72 TACR1 (0.48) TACR1SLC6A4
SCHEMBL9028644 0.72 TACR1 (0.48) TACR1SLC6A4
SCHEMBL9026822 0.72 TACR1 (0.48) TACR1SLC6A4

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