SCHEMBL3226320

SCHEMBL3226320

CN(CCc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.39
POLB P06746 1/20 0.36
CHRM2 P08172 10/20 0.36
CHRM4 P08173 10/20 0.36
CHRM5 P08912 10/20 0.36
CHRM1 P11229 10/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC18A3 Q16572 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
SCHEMBL3226330 1.00 CHRM3 (0.39) CHRM3POLBCHRM2CHRM4CHRM5
SCHEMBL3224220 0.93 CHRM3 (0.36) CHRM3POLBCHRM2CHRM4CHRM5
SCHEMBL3232872 0.93 CHRM3 (0.36) CHRM3POLBCHRM2CHRM4CHRM5
SCHEMBL3234494 0.92 CHRM3 (0.35) CHRM3POLBCHRM2CHRM4CHRM5
SCHEMBL3234490 0.92 CHRM3 (0.35) CHRM3POLBCHRM2CHRM4CHRM5
SCHEMBL4741153 0.91 CHRM3 (0.35) CHRM3POLBCHRM2CHRM4CHRM5
SCHEMBL4741154 0.91 CHRM3 (0.35) CHRM3POLBCHRM2CHRM4CHRM5
SCHEMBL1109796 0.89 CHRM3 (0.39) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13329487 0.89 CHRM3 (0.39) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13329484 0.89 CHRM3 (0.39) CHRM3CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015792-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA-2 RECEPTORS ARGENTA DISCOVERY LIMITED (GB) 2010-02-11 WO disclosed
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
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