SCHEMBL7209216

SCHEMBL7209216

O=C(OC1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.69
CHRM2 P08172 3/20 0.69
CHRM1 P11229 3/20 0.69
KCNH2 Q12809 2/20 0.69
CACNA1F O60840 1/20 0.69
CHRM4 P08173 1/20 0.69
CHRM5 P08912 1/20 0.69
KCNE1 P15382 1/20 0.69
KCNQ1 P51787 1/20 0.69
CACNA1D Q01668 1/20 0.69
CACNA1S Q13698 1/20 0.69
CACNA1C Q13936 1/20 0.69
SCN5A Q14524 1/20 0.69
KCND3 Q9UK17 1/20 0.69

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
SCHEMBL21095879 0.87 CHRM3 (0.69) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL14375166 0.84 CHRM3 (0.49) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL23436372 0.84 CHRM3 (0.64) CHRM3CHRM2CHRM1KCNH2CACNA1F
SCHEMBL23435984 0.84 CHRM3 (0.64) CHRM3CHRM2CHRM1KCNH2CACNA1F
Solifenacin SCHEMBL1736633 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F
Solifenacin SCHEMBL1735698 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F
Solifenacin SCHEMBL1566144 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F
Solifenacin SCHEMBL12046704 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F
Solifenacin SCHEMBL1478523 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F
Solifenacin SCHEMBL13298567 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2CACNA1F

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