SCHEMBL4779780

SCHEMBL4779780

C[N+](C)(CCOCc1ccc(C(F)(F)F)cc1)Cc1nnc(C(O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.34
CHRM1 P11229 10/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
NPY2R P49146 1/20 0.33
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32
CHRM3 P20309 9/20 0.31
CHRM4 P08173 8/20 0.31
CHRM5 P08912 8/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL4879156 0.91 KCNH2 (0.38) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4778055 0.89 CHRM2 (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4727024 0.87 CHRM2 (0.33) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4780964 0.85 HRH1 (0.34) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4727311 0.79 KCNH2 (0.39) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4727438 0.79 CHRNA7 (0.38) CHRM2CHRM1KCNH2SLC6A3LMNA
Bromide SCHEMBL4779649 0.79 KCNH2 (0.38) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL14291317 0.78 KCNH2 (0.39) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109891 0.78 CHRM2 (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109893 0.78 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 1 patent. 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