SCHEMBL4786069

SCHEMBL4786069

CN(CCN)CCc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.39
POLB P06746 1/20 0.36
CHRM2 P08172 13/20 0.36
CHRM1 P11229 13/20 0.36
CHRM4 P08173 12/20 0.36
CHRM5 P08912 10/20 0.36
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT1 Q99873 1/20 0.34

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
SCHEMBL4786064 1.00 CHRM3 (0.39) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109856 0.88 POLB (0.44) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3226330 0.88 CHRM3 (0.39) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3226320 0.88 CHRM3 (0.39) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109841 0.87 ALDH1A1 (0.44) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3221153 0.87 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1109823 0.87 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1110659 0.86 MEN1 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL3232872 0.84 CHRM3 (0.36) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3224220 0.84 CHRM3 (0.36) CHRM3POLBCHRM2CHRM1CHRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed