SCHEMBL4727438

SCHEMBL4727438

Cc1ccc(OCC[N+](C)(C)Cc2nnc(C(O)(c3ccccc3)C3CCCCC3)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
KCNH2 Q12809 3/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36
HRH1 P35367 2/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.34
NPY2R P49146 1/20 0.34
CHRM3 P20309 1/20 0.34

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 0.90 KCNH2 (0.39) CHRNA7KCNH2CHRM2CHRM1SLC6A3
Bromide SCHEMBL4779649 0.89 KCNH2 (0.38) CHRNA7KCNH2CHRM2CHRM1SLC6A3
SCHEMBL14291317 0.89 KCNH2 (0.39) CHRNA7KCNH2CHRM2CHRM1SLC6A3
SCHEMBL4743356 0.85 CHRNA7 (0.38) CHRNA7KCNH2CHRNB4CHRNA3CHRNA10
SCHEMBL4743355 0.85 CHRNA7 (0.38) CHRNA7KCNH2CHRNB4CHRNA3CHRNA10
SCHEMBL4744082 0.84 KCNH2 (0.38) CHRNA7KCNH2CHRNB4CHRNA3CHRNA10
SCHEMBL4727310 0.84 MEN1 (0.44) KCNH2CHRM2CHRM1SLC6A3MEN1
SCHEMBL1109795 0.81 KCNH2 (0.39) CHRNA7KCNH2CHRNB4CHRNA3CHRNA10
SCHEMBL1109792 0.81 KCNH2 (0.39) CHRNA7KCNH2CHRNB4CHRNA3CHRNA10
SCHEMBL4778055 0.81 CHRM2 (0.37) 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