SCHEMBL4779865

SCHEMBL4779865

C[N+](C)(CCc1cccc(Cl)c1)Cc1cc(C(O)(c2ccccc2)C2CCCCC2)no1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.36
CHRM1 P11229 8/20 0.36
CHRM3 P20309 8/20 0.36
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GLA P06280 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP19A1 P11511 1/20 0.33
EPHX2 P34913 1/20 0.32
CHRM4 P08173 5/20 0.32
CHRM5 P08912 5/20 0.32
SLC6A3 Q01959 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
HRH1 P35367 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
SCHEMBL4725504 0.85 HRH1 (0.39) CHRM2CHRM1CHRM3KCNH2CYP2D6
SCHEMBL4727200 0.83 CHRM3 (0.35) CHRM2CHRM1CHRM3KCNH2CYP2D6
SCHEMBL4779696 0.83 KCNH2 (0.36) CHRM2CHRM1CHRM3KCNH2CYP2D6
SCHEMBL4727245 0.82 CHRM2 (0.37) CHRM2CHRM1CHRM3KCNH2CYP2D6
SCHEMBL4779167 0.82 CHRM3 (0.36) CHRM2CHRM1CHRM3KCNH2CYP2D6
Bromide SCHEMBL4726219 0.81 CHRM2 (0.36) CHRM2CHRM1CHRM3KCNH2CYP2D6
SCHEMBL4726237 0.79 KCNH2 (0.38) CHRM2CHRM1CHRM3KCNH2CYP2D6
SCHEMBL4779685 0.79 CHRM2 (0.33) CHRM2CHRM1CHRM3KCNH2CYP2D6
SCHEMBL4726130 0.78 POLB (0.37) CHRM2CHRM1CHRM3KCNH2CYP2D6
SCHEMBL4726751 0.78 POLB (0.37) CHRM2CHRM1CHRM3KCNH2CYP19A1

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