SCHEMBL4777456

SCHEMBL4777456

CN(C)Cc1noc(C(O)(c2ccccc2)C2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRM3 P20309 13/20 0.39
CHRM2 P08172 13/20 0.38
CHRM1 P11229 13/20 0.38
CHRM4 P08173 12/20 0.38
CHRM5 P08912 10/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
BMP1 P13497 1/20 0.37

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
SCHEMBL4725269 0.99 ALDH1A1 (0.40) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4780966 0.83 HTR2C (0.45) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4778023 0.83 CHRM3 (0.39) ALDH1A1CHRM3CHRM2CHRM1CHRM4
SCHEMBL4727371 0.79 CHRM3 (0.43) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL14291869 0.78 POLB (0.40) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL3215013 0.77 CHRM3 (0.42) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4793046 0.77 CHRM3 (0.43) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL3215004 0.77 CHRM3 (0.42) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL1109790 0.76 CHRM3 (0.41) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL1109782 0.76 CHRM3 (0.41) POLBALDH1A1CHRM3CHRM2CHRM1

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