SCHEMBL7824082

SCHEMBL7824082

O=C(Cc1ccccc1)OC1CN2CCC1CC2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.67
CHRM3 P20309 8/20 0.62
CHRM2 P08172 7/20 0.62
CHRM1 P11229 7/20 0.62
CHRNA7 P36544 2/20 0.60
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL15147390 1.00 CYP2D6 (0.67) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL7824078 1.00 CYP2D6 (0.67) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL15335456 0.86 CHRM2 (0.57) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL27268650 0.81 CHRM2 (0.61) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL16790940 0.81 CYP2D6 (0.64) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL16790937 0.81 CYP2D6 (0.64) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL2486589 0.80 CHRM2 (0.66) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL27276196 0.79 CYP2D6 (0.49) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL16919017 0.78 CYP2D6 (0.49) CYP2D6CHRM3CHRM2CHRM1CHRNA7
SCHEMBL10928565 0.78 CHRM2 (0.62) CYP2D6CHRM3CHRM2CHRM1CHRNA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500864-B1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LTD (GB) 2001-09-19 EP disclosed
US-5292749-A Quinuclidine derivatives; bronchodilator agents, treatment of respiratory system disorders PFIZER INC. (US) 1994-03-08 US disclosed
EP-0500864-A1 ANTIMUSCARINIC BRONCHODILATORS Pfizer Limited (GB) 1992-09-02 EP disclosed
WO-1992004346-A1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LIMITED (GB) 1992-03-19 WO disclosed