SCHEMBL4779685

SCHEMBL4779685

C[N+](C)(CCOCc1ccc(Cl)c(Cl)c1)Cc1cc(C(O)(c2ccccc2)C2CCCCC2)no1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.33
CHRM1 P11229 7/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TACR1 P25103 6/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH1 P35367 1/20 0.31
CHRM3 P20309 6/20 0.30
CHRM4 P08173 5/20 0.30
CHRM5 P08912 5/20 0.30

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
SCHEMBL4779167 0.92 CHRM3 (0.36) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4727245 0.91 CHRM2 (0.37) CHRM2CHRM1KCNH2LMNASLC6A3
Bromide SCHEMBL4726219 0.90 CHRM2 (0.36) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4726130 0.87 POLB (0.37) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4779696 0.85 KCNH2 (0.36) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4726613 0.85 TSHR (0.35) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4777960 0.85 TSHR (0.35) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL523789 0.85 CHRM2 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL523790 0.85 CHRM2 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4726751 0.84 POLB (0.37) CHRM2CHRM1KCNH2LMNASLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO claimed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed