SCHEMBL6231206

SCHEMBL6231206

C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccccc1Cc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.59
CHRM1 P11229 8/20 0.59
CHRM3 P20309 8/20 0.59
CYP2D6 P10635 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
SLC6A4 P31645 1/20 0.50
KCNH2 Q12809 1/20 0.50
RGS12 O14924 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39

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
Iodide SCHEMBL4090662 0.99 CHRM2 (0.58) CHRM2CHRM1CHRM3CYP2D6CHRM4
Iodide SCHEMBL4094587 0.91 CHRM2 (0.55) CHRM2CHRM1CHRM3CYP2D6CHRM4
SCHEMBL5007267 0.86 CHRM3 (0.55) CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL5009368 0.86 CHRM2 (0.44) CHRM2CHRM1CHRM3L3MBTL1BCHE
SCHEMBL5007152 0.84 CHRM2 (0.44) CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL5011098 0.83 CHRM3 (0.42) CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL5009300 0.83 CHRM2 (0.42) CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL5003306 0.83 CHRM3 (0.59) CHRM2CHRM1CHRM3
SCHEMBL2813858 0.83 CHRM3 (0.59) CHRM2CHRM1CHRM3
SCHEMBL5006856 0.82 CHRM3 (0.42) CHRM2CHRM1CHRM3L3MBTL1

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
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP claimed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO claimed