SCHEMBL880898

SCHEMBL880898

Bc1ccc(C(OC(=O)O[C@H]2CN3CCC2CC3)c2ccc(B)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.49
CHRNA7 P36544 4/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
GLA P06280 1/20 0.47
CHRM2 P08172 7/20 0.47
CHRM1 P11229 5/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45

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
SCHEMBL230471 0.87 CHRNA7 (0.61) CHRM3CHRNA7BCHEACHEGLA
SCHEMBL230620 0.87 CHRM3 (0.50) CHRM3CHRNA7BCHEACHEGLA
SCHEMBL229291 0.87 GLA (0.64) CHRM3CHRNA7BCHEACHEGLA
SCHEMBL229292 0.87 GLA (0.64) CHRM3CHRNA7BCHEACHEGLA
SCHEMBL230619 0.87 CHRM3 (0.50) CHRM3CHRNA7BCHEACHEGLA
SCHEMBL230472 0.87 CHRNA7 (0.61) CHRM3CHRNA7BCHEACHEGLA
SCHEMBL231103 0.86 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL231102 0.86 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL230320 0.79 CHRM3 (0.53) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL227120 0.79 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5

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