SCHEMBL4779696

SCHEMBL4779696

C[N+](C)(CCOCCc1ccccc1)Cc1cc(C(O)(c2ccccc2)C2CCCCC2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
SLC6A3 Q01959 3/20 0.36
LMNA P02545 4/20 0.36
CYP2D6 P10635 3/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH1 P35367 5/20 0.33
CHRM3 P20309 4/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
APAF1 O14727 3/20 0.33
USP2 O75604 3/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
RAD52 P43351 3/20 0.33
SMN1; SMN2 Q16637 3/20 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
SCHEMBL4727245 0.92 CHRM2 (0.37) KCNH2CHRM2CHRM1SLC6A3LMNA
Bromide SCHEMBL4726219 0.91 CHRM2 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL4725504 0.88 HRH1 (0.39) KCNH2CHRM2CHRM1CYP2D6HRH1
SCHEMBL4779167 0.86 CHRM3 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL4779685 0.85 CHRM2 (0.33) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL4726237 0.83 KCNH2 (0.38) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL4779865 0.83 CHRM2 (0.36) KCNH2CHRM2CHRM1SLC6A3CYP2D6
SCHEMBL4725244 0.82 KCNH2 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL14291318 0.82 ACHE (0.40) CHRM2CHRM1ALDH1A1CHRM3CHRM4
SCHEMBL524178 0.82 CHRM2 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA

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