SCHEMBL5280124

SCHEMBL5280124

CN(CCOC(=O)N(c1ccccc1-c1ccccc1)N1CC[CH]CC1)C(=O)c1ccc(CN2CCC(O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
ACHE P22303 3/20 0.45
BCHE P06276 1/20 0.42
CHRM4 P08173 1/20 0.40
MCHR1 Q99705 2/20 0.39
CYP2D6 P10635 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL6021912 0.92 CHRM2 (0.56) CHRM2ACHEBCHECHRM4CD274
SCHEMBL4692594 0.90 CHRM2 (0.42) CHRM2ACHEBCHEMCHR1
SCHEMBL4696924 0.89 CHRM2 (0.41) CHRM2ACHEBCHEMCHR1PDCD1
SCHEMBL4693819 0.88 CHRM2 (0.42) CHRM2ACHEBCHEMCHR1
SCHEMBL4694020 0.88 CHRM2 (0.40) CHRM2ACHEBCHEMCHR1
SCHEMBL4694973 0.87 MCHR1 (0.40) CHRM2ACHEBCHEMCHR1
SCHEMBL4692420 0.85 MCHR1 (0.38) CHRM2ACHEBCHEMCHR1
SCHEMBL6021990 0.83 CHRM2 (0.41) CHRM2PDCD1CD274
SCHEMBL4696795 0.82 CHRM2 (0.35) CHRM2ACHE
SCHEMBL4695275 0.82 CHRM2 (0.35) CHRM2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856112-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-11-21 EP claimed
WO-2006099032-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO claimed