SCHEMBL2484693

SCHEMBL2484693

O=C(OC1CN2CCC1CC2)[C@H](NCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 11/20 0.58
▸ PDE4B Q07343 2/20 0.53
▸ CHRNA7 P36544 2/20 0.53
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CHRM2 P08172 8/20 0.52
▸ CHRM1 P11229 8/20 0.52
▸ PDE2A O00408 1/20 0.52
▸ PDE6D O43924 1/20 0.52
▸ PDE8A O60658 1/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ PDE9A O76083 1/20 0.52
▸ PDE8B O95263 1/20 0.52
▸ PDE6A P16499 1/20 0.52
▸ PDE6G P18545 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ PDE6B P35913 1/20 0.52
▸ PDE6C P51160 1/20 0.52
▸ PDE1A P54750 1/20 0.52

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
SCHEMBL1696030 1.00 CHRM3 (0.58) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL1696027 1.00 CHRM3 (0.58) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL2484367 0.93 CHRM3 (0.54) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL2485738 0.93 CHRM3 (0.54) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL2484634 0.93 CHRM3 (0.54) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL13241002 0.93 CHRM3 (0.53) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL13282720 0.93 CHRM3 (0.57) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL2485740 0.93 CHRM3 (0.54) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL19894808 0.93 CHRM3 (0.55) CHRM3PDE4BCHRNA7BCHEACHE
SCHEMBL2484366 0.93 CHRM3 (0.54) CHRM3PDE4BCHRNA7BCHEACHE

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