SCHEMBL5741549

SCHEMBL5741549

O=C(O[C@H]1CN2CCC1CC2)C(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.66
CHRNA7 P36544 2/20 0.60
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
CHRM2 P08172 5/20 0.59
CHRM1 P11229 5/20 0.59
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CYP2D6 P10635 2/20 0.56
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL18557643 0.90 CHRM3 (0.56) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL9329438 0.88 CHRM3 (0.54) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL19049351 0.87 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294778 0.87 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17301741 0.87 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294693 0.87 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294695 0.87 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294694 0.87 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294779 0.87 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL2482949 0.86 CHRM3 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631569-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS Novartis AG (CH) 2006-03-08 EP disclosed
WO-2004096800-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2004-11-11 WO disclosed