SCHEMBL4726435

SCHEMBL4726435

C[N+](C)(CCOCc1ccc(Cl)cc1)Cc1nc(C(O)(c2ccccc2)C2CCCCC2)no1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.36
CYP19A1 P11511 1/20 0.35
CHRM2 P08172 7/20 0.34
CHRM1 P11229 7/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH1 P35367 1/20 0.32
S1PR1 P21453 1/20 0.32
CHRM4 P08173 5/20 0.31
CHRM5 P08912 5/20 0.31

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
SCHEMBL4726224 0.94 CHRM2 (0.37) CHRM3CYP19A1CHRM2CHRM1KCNH2
Bromide SCHEMBL4728212 0.93 CHRM2 (0.36) CHRM3CYP19A1CHRM2CHRM1KCNH2
SCHEMBL4726613 0.91 TSHR (0.35) CHRM3CHRM2CHRM1KCNH2SLC6A3
SCHEMBL4782484 0.85 CHRM3 (0.36) CHRM3CYP19A1CHRM2CHRM1KCNH2
SCHEMBL4779167 0.83 CHRM3 (0.36) CHRM3CYP19A1CHRM2CHRM1KCNH2
Formic Acid SCHEMBL4794874 0.81 CHRM3 (0.34) CHRM3CYP19A1CHRM2CHRM1KCNH2
SCHEMBL4727200 0.81 CHRM3 (0.35) CHRM3CYP19A1CHRM2CHRM1KCNH2
Formic Acid SCHEMBL4794869 0.81 CHRM3 (0.34) CHRM3CYP19A1CHRM2CHRM1KCNH2
SCHEMBL4727450 0.81 CHRM3 (0.35) CHRM3CYP19A1CHRM2CHRM1KCNH2
SCHEMBL4779634 0.81 CHRM3 (0.39) CHRM3CYP19A1CHRM2CHRM1KCNH2

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