SCHEMBL4619902

SCHEMBL4619902

CNC(=O)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.68
NFE2L2 Q16236 1/20 0.68
CHRM3 P20309 10/20 0.56
CHRM2 P08172 8/20 0.54
CHRM1 P11229 8/20 0.54
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL27422728 0.98 KEAP1 (0.66) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1850878 0.83 KEAP1 (0.66) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1850881 0.83 KEAP1 (0.66) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2062807 0.82 KEAP1 (0.70) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL522945 0.82 KEAP1 (0.70) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1234889 0.82 KEAP1 (0.70) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL8471924 0.82 KEAP1 (0.56) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4889937 0.81 KEAP1 (0.74) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2062949 0.81 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL415801 0.81 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1

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-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP claimed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
CN-100519526-C Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-07-29 CN disclosed
CN-1681784-A Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2005-10-12 CN disclosed