SCHEMBL4782914

SCHEMBL4782914

OC(c1ccccc1)(c1cc(CBr)no1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.43
CHRM2 P08172 12/20 0.43
CHRM1 P11229 12/20 0.43
CHRM4 P08173 11/20 0.43
CHRM5 P08912 11/20 0.43
CYP2D6 P10635 4/20 0.40
HRH1 P35367 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
SCN1A P35498 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KCNH2 Q12809 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL4727513 0.88 CHRM3 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4793046 0.84 CHRM3 (0.43) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4782462 0.79 KDM4C (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4725344 0.79 NOTUM (0.36) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2238914 0.74 CYP2D6 (0.66) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28257085 0.74 CYP2D6 (0.66) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4726296 0.74 KCNH2 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1848858 0.71 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1848860 0.71 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1846153 0.70 CYP2D6 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5

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