SCHEMBL4728734

SCHEMBL4728734

CN(C)Cc1cc(C(O)(c2ccccc2)C2CCCCC2)no1

nearest known ligand 0.41

Predicted protein targets (top 13)

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
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL1846177 0.84 CYP2D6 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1846153 0.84 CYP2D6 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14291856 0.83 CHRM3 (0.39) ALDH1A1CHRM3CHRM2CHRM1CHRM4
SCHEMBL14291318 0.81 ACHE (0.40) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4793046 0.80 CHRM3 (0.43) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL1109790 0.76 CHRM3 (0.41) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4777456 0.76 POLB (0.41) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4739830 0.76 CHRM3 (0.41) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4727371 0.76 CHRM3 (0.43) 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