SCHEMBL7209238

SCHEMBL7209238

CCOC(=O)N1CCc2ccccc2C1c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.62
KCNH2 Q12809 2/20 0.62
TRPM8 Q7Z2W7 3/20 0.55
TRPV1 Q8NER1 1/20 0.51
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
CACNA1F O60840 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
KCND3 Q9UK17 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
HHAT Q5VTY9 1/20 0.48

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
SCHEMBL30965945 1.00 CHRM3 (0.62) CHRM3KCNH2TRPM8TRPV1CHRM2
SCHEMBL29561016 1.00 CHRM3 (0.62) CHRM3KCNH2TRPM8TRPV1CHRM2
SCHEMBL22784241 1.00 CHRM3 (0.62) CHRM3KCNH2TRPM8TRPV1CHRM2
SCHEMBL7210566 0.90 CHRM3 (0.52) CHRM3KCNH2TRPM8CHRM2CHRM1
SCHEMBL12046708 0.90 CHRM3 (0.60) CHRM3KCNH2TRPV1CHRM2CHRM1
SCHEMBL1696394 0.90 CHRM3 (0.60) CHRM3KCNH2TRPV1CHRM2CHRM1
SCHEMBL13041647 0.90 CHRM3 (0.60) CHRM3KCNH2TRPV1CHRM2CHRM1
SCHEMBL1404035 0.90 CHRM3 (0.60) CHRM3KCNH2TRPV1CHRM2CHRM1
SCHEMBL28703381 0.88 CHRM3 (0.56) CHRM3KCNH2TRPM8TRPV1CHRM2
SCHEMBL7213954 0.88 CHRM3 (0.62) CHRM3KCNH2TRPM8TRPV1CHRM2

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-0801067-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6174896-B1 MUSCARINIC RECEPTOR ANTAGONISTIC ACTIVITY; FOR THERAPY AND PROPHYLAXIS FOR UROLOGIC DISEASES, RESPIRATORY DISEASES OR DIGESTIVE DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-16 US disclosed
US-6017927-A Quinuclidine derivatives and medicinal composition thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0801067-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-15 EP disclosed