SCHEMBL2485023

SCHEMBL2485023

O=C(OC1CN2CCC1CC2)[C@H](Nc1cc(F)ccc1F)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 11/20 0.56
▸ CHRM2 P08172 7/20 0.56
▸ CHRM1 P11229 7/20 0.56
▸ CHRNA7 P36544 2/20 0.50
▸ BCHE P06276 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44

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
SCHEMBL13240822 1.00 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1695649 1.00 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1695646 1.00 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL2484798 0.90 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL13241016 0.90 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL13240846 0.88 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15334574 0.87 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1695727 0.87 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1695722 0.87 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1701362 0.86 CHRM3 (0.57) 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 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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