SCHEMBL4727245

SCHEMBL4727245

C[N+](C)(CCOCc1ccccc1)Cc1cc(C(O)(c2ccccc2)C2CCCCC2)no1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.37
CHRM1 P11229 7/20 0.37
KCNH2 Q12809 2/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM3 P20309 7/20 0.33
GAA P10253 1/20 0.32
CYP19A1 P11511 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM4 P08173 5/20 0.32
CHRM5 P08912 5/20 0.32

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
Bromide SCHEMBL4726219 0.99 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4779167 0.94 CHRM3 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4779696 0.92 KCNH2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4779685 0.91 CHRM2 (0.33) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4725504 0.85 HRH1 (0.39) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL4726237 0.84 KCNH2 (0.38) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4779865 0.82 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3CYP2D6
SCHEMBL4726130 0.81 POLB (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4726224 0.81 CHRM2 (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109891 0.81 CHRM2 (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA

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