SCHEMBL4778023

SCHEMBL4778023

CNCc1noc(C(O)(c2ccccc2)C2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.39
BMP1 P13497 1/20 0.38
CHRM2 P08172 12/20 0.38
CHRM1 P11229 12/20 0.38
CHRM4 P08173 10/20 0.38
CHRM5 P08912 10/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.38
KCNH2 Q12809 2/20 0.38
HRH1 P35367 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
SCN1A P35498 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL4777456 0.83 POLB (0.41) CHRM3BMP1CHRM2CHRM1CHRM4
SCHEMBL4725269 0.82 ALDH1A1 (0.40) CHRM3BMP1CHRM2CHRM1CHRM4
SCHEMBL4740717 0.79 CHRM3 (0.43) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1109883 0.76 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4785975 0.76 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14291856 0.76 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4780966 0.75 HTR2C (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4776914 0.75 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4778382 0.74 KCNH2 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL4725253 0.73 KCNH2 (0.38) 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