SCHEMBL4631297

SCHEMBL4631297

O=C(NC1(Cc2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.65
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
TACR1 P25103 5/20 0.37
TACR3 P29371 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP4 P27487 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 SCHEMBL7750013 0.99 TACR2 (0.64) TACR2CHRM2CHRM3TACR1TACR3
SCHEMBL4630232 0.89 TACR2 (0.79) TACR2CHRM2CHRM3TACR1TACR3
Hydrochloric Acid SCHEMBL7749162 0.87 TACR2 (0.77) TACR2CHRM2CHRM3TACR1TACR3
SCHEMBL6976267 0.82 TACR2 (0.84) TACR2CHRM2CHRM3TACR1TACR3
SCHEMBL4631279 0.81 TACR2 (0.85) TACR2CHRM2CHRM3TACR1TACR3
SCHEMBL6963370 0.81 TACR2 (0.72) TACR2CHRM2CHRM3TACR1TACR3
SCHEMBL4631147 0.81 TACR2 (0.81) TACR2CHRM2CHRM3TACR1TACR3
Hydrochloric Acid SCHEMBL7719849 0.80 TACR2 (0.71) TACR2CHRM2CHRM3TACR1TACR3
Hydrochloric Acid SCHEMBL7749204 0.80 TACR2 (0.83) TACR2CHRM2CHRM3TACR1TACR3
SCHEMBL4630144 0.79 TACR2 (0.82) TACR2CHRM2CHRM3TACR1TACR3

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-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 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