SCHEMBL17322604

SCHEMBL17322604

CC(C(=O)OC1CN2CCC1CC2)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.63
CHRM2 P08172 8/20 0.60
CHRM1 P11229 6/20 0.60
CHRNA7 P36544 2/20 0.58
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CYP2D6 P10635 2/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL13282706 1.00 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL5741549 0.86 CHRM3 (0.66) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL19049351 0.85 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL17294778 0.85 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL17301741 0.85 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL17294779 0.85 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL17294693 0.85 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL17294694 0.85 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL17294695 0.85 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL2482949 0.84 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRNA7BCHE

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
WO-2015185649-A9 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2017-01-05 WO disclosed
WO-2015185649-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 WO disclosed