SCHEMBL10077934

SCHEMBL10077934

C[N+]12CCC(CC1)[C@@H](OC(=O)CC(c1cccc(F)c1)c1cccc(F)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.48
CHRM3 P20309 9/20 0.48
CHRM1 P11229 7/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
SLC6A4 P31645 1/20 0.48
KCNH2 Q12809 1/20 0.48
RGS12 O14924 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 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
SCHEMBL231642 0.82 CHRM3 (0.47) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL231643 0.82 CHRM3 (0.47) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL880930 0.81 CHRM3 (0.59) CHRM2CHRM3CHRM1
SCHEMBL10076905 0.79 CHRM3 (0.40) CHRM2CHRM3CHRM1
SCHEMBL10077722 0.78 CHRM3 (0.38) CHRM2CHRM3CHRM1POLBMAPT
SCHEMBL880941 0.77 CHRM3 (0.40) CHRM2CHRM3CHRM1
SCHEMBL5685475 0.70 MAPT (0.55) POLBMAPTMAPK1
SCHEMBL10256911 0.69 CHRM2 (0.64) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL12014464 0.68 CHRM2 (0.53) CHRM2CHRM3CHRM1CYP2D6CHRM4
SCHEMBL13240866 0.68 CHRM2 (0.53) CHRM2CHRM3CHRM1CYP2D6CHRM4

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
EP-2313404-B1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2012-03-28 EP disclosed