SCHEMBL9329438

SCHEMBL9329438

O=C(OC1CN2CCC1CC2)C(c1ccccc1)c1cn[nH]c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.54
CHRNA7 P36544 3/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CHRM2 P08172 5/20 0.48
CHRM1 P11229 5/20 0.48
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 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
SCHEMBL5741549 0.88 CHRM3 (0.66) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL18557643 0.80 CHRM3 (0.56) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL19049351 0.77 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294778 0.77 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17301741 0.77 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294779 0.77 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294695 0.77 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294694 0.77 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL17294693 0.77 CHRM3 (0.64) CHRM3CHRNA7BCHEACHECHRM2
SCHEMBL2482949 0.76 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424021-B1 Antimuscarinic bronchodilators PFIZER LTD (GB) 1994-03-02 EP disclosed
US-5171744-A Antimuscarinic bronchodilators PFIZER INC. (US) 1992-12-15 US disclosed
CN-1051041-A Antimuscainic bronchodilators PFIZER (US) 1991-05-01 CN disclosed
EP-0424021-A1 Antimuscarinic bronchodilators Pfizer Limited (GB) 1991-04-24 EP disclosed