SCHEMBL3783863

SCHEMBL3783863

C[N+]12CCC(CC1)[C@@H](OC(=O)C(Nc1ccccc1)c1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.53
CHRM3 P20309 8/20 0.53
CHRM1 P11229 7/20 0.53
CHRM4 P08173 3/20 0.53
CHRM5 P08912 3/20 0.53
CYP2D6 P10635 2/20 0.53
SLC6A4 P31645 1/20 0.53
KCNH2 Q12809 1/20 0.53
RGS12 O14924 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
LMNA P02545 2/20 0.41
THRB P10828 2/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13240866 1.00 CHRM2 (0.53) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL12014464 1.00 CHRM2 (0.53) CHRM2CHRM3CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2484719 0.92 CHRM2 (0.57) CHRM2CHRM3CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2993843 0.92 CHRM2 (0.57) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL3782038 0.86 CHRM3 (0.43) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL13240912 0.84 CHRM3 (0.44) CHRM2CHRM3CHRM1MEN1KMT2A
SCHEMBL16664379 0.84 CHRM3 (0.44) CHRM2CHRM3CHRM1MEN1KMT2A
SCHEMBL13282731 0.83 CHRM3 (0.43) CHRM2CHRM3CHRM1
SCHEMBL16649371 0.82 CHRM3 (0.55) CHRM2CHRM3CHRM1CHRNB4CHRNA3
SCHEMBL13240902 0.82 CHRM3 (0.55) CHRM2CHRM3CHRM1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
WO-2012110462-A1 LIQUID PROPELLANT-FREE FORMULATION COMPRISING AN ANTIMUSCARINIC DRUG CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-23 WO disclosed
EP-2206712-A1 \"Alkaloid aminoester derivatives and medicinal composition thereof\ CHIESI FARMACEUTICI S.p.A. (IT) 2010-07-14 EP disclosed
EP-2206712-A1 \"Alkaloid aminoester derivatives and medicinal composition thereof\ CHIESI FARMACEUTICI S.p.A. (IT) 2010-07-14 EP disclosed