SCHEMBL4777451

SCHEMBL4777451

C[N+](C)(CCCOc1ccccc1)Cc1nc(C(O)(c2ccccc2)C2CCCCC2)ns1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.38
KCNH2 Q12809 3/20 0.38
CHRM2 P08172 4/20 0.37
CHRM1 P11229 4/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 6/20 0.36
CYP2D6 P10635 1/20 0.35
CHRNA7 P36544 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 1/20 0.34
PAX8 Q06710 1/20 0.34
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33

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
SCHEMBL14291870 0.83 KCNH2 (0.38) CHRM3KCNH2CHRM2CHRM1SLC6A3
SCHEMBL4725279 0.83 KCNH2 (0.39) CHRM3KCNH2CHRM2CHRM1SLC6A3
SCHEMBL14291724 0.82 KCNH2 (0.40) CHRM3KCNH2CHRM2CHRM1SLC6A3
SCHEMBL4779634 0.82 CHRM3 (0.39) CHRM3KCNH2CHRM2CHRM1SLC6A3
SCHEMBL4739872 0.82 KCNH2 (0.39) CHRM3KCNH2CHRM2CHRM1SLC6A3
Bromide SCHEMBL4725231 0.81 CHRM3 (0.38) CHRM3KCNH2CHRM2CHRM1SLC6A3
Bromide SCHEMBL4726878 0.81 KCNH2 (0.40) CHRM3KCNH2CHRM2CHRM1SLC6A3
SCHEMBL4741476 0.81 KCNH2 (0.40) CHRM3KCNH2CHRM2CHRM1SLC6A3
SCHEMBL4778382 0.79 KCNH2 (0.38) CHRM3KCNH2CHRM2CHRM1SLC6A3
Bromide SCHEMBL4725253 0.78 KCNH2 (0.38) CHRM3KCNH2CHRM2CHRM1SLC6A3

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