SCHEMBL2509819

SCHEMBL2509819

COc1ccccc1N[C@@H](C(=O)OC1CN2CCC1CC2)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 5/20 0.56
▸ CHRNA7 P36544 2/20 0.52
▸ BCHE P06276 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ CHRM2 P08172 2/20 0.52
▸ CHRM1 P11229 2/20 0.52
▸ PDE2A O00408 1/20 0.50
▸ PDE6D O43924 1/20 0.50
▸ PDE8A O60658 1/20 0.50
▸ PDE5A O76074 1/20 0.50
▸ PDE9A O76083 1/20 0.50
▸ PDE8B O95263 1/20 0.50
▸ PDE6A P16499 1/20 0.50
▸ PDE6G P18545 1/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ PDE6B P35913 1/20 0.50
▸ PDE6C P51160 1/20 0.50
▸ PDE1A P54750 1/20 0.50
▸ PDE1B Q01064 1/20 0.50
▸ PDE4B Q07343 1/20 0.50

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
SCHEMBL13240795 1.00 CHRM3 (0.56) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL2484596 0.89 CHRM3 (0.52) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL13240815 0.89 CHRM3 (0.52) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL19894881 0.89 CHRM3 (0.57) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL1695924 0.87 CHRM3 (0.58) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL1695927 0.87 CHRM3 (0.58) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL13240793 0.87 CHRM3 (0.55) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL2511178 0.87 CHRM3 (0.55) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL2482967 0.87 CHRM3 (0.55) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL13240827 0.85 CHRM3 (0.56) CHRM3CHRNA7BCHEACHECHRM2

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-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 — — EP disclosed
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