SCHEMBL4778055

SCHEMBL4778055

C[N+](C)(CCCOCc1ccccc1)Cc1nnc(C(O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.37
CHRM1 P11229 12/20 0.37
KCNH2 Q12809 2/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.35
CHRM3 P20309 11/20 0.33
CHRM4 P08173 10/20 0.33
CHRM5 P08912 10/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.32
POLB P06746 1/20 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
SCHEMBL4727311 0.89 KCNH2 (0.39) CHRM2CHRM1KCNH2SLC6A3CYP2D6
SCHEMBL4779780 0.89 CHRM2 (0.34) CHRM2CHRM1KCNH2SLC6A3CYP2D6
Bromide SCHEMBL4779649 0.88 KCNH2 (0.38) CHRM2CHRM1KCNH2SLC6A3CYP2D6
SCHEMBL14291317 0.88 KCNH2 (0.39) CHRM2CHRM1KCNH2SLC6A3CYP2D6
SCHEMBL4879156 0.86 KCNH2 (0.38) CHRM2CHRM1KCNH2SLC6A3CYP2D6
SCHEMBL4727024 0.85 CHRM2 (0.33) CHRM2CHRM1KCNH2SLC6A3CYP2D6
SCHEMBL1109819 0.84 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3CYP2D6
SCHEMBL1109818 0.84 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3CYP2D6
SCHEMBL4780964 0.84 HRH1 (0.34) CHRM2CHRM1KCNH2SLC6A3CYP2D6
Bromide SCHEMBL1109853 0.84 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3CYP2D6

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