SCHEMBL4694973

SCHEMBL4694973

CN(CCOC(=O)N(c1ccccc1-c1ccccc1)N1CC[CH]CC1)C(=O)c1ccc(CN2CCN(C(=O)N3CCCCC3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
CHRM2 P08172 1/20 0.39
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4696924 0.92 CHRM2 (0.41) MCHR1CHRM2ACHEBCHEHRH3
SCHEMBL4692594 0.90 CHRM2 (0.42) MCHR1CHRM2ACHEBCHEPOLB
SCHEMBL4693819 0.88 CHRM2 (0.42) MCHR1CHRM2ACHEBCHEHRH3
SCHEMBL5280124 0.87 CHRM2 (0.46) MCHR1CHRM2ACHEBCHE
SCHEMBL6021912 0.85 CHRM2 (0.56) CHRM2ACHEBCHE
SCHEMBL4692420 0.83 MCHR1 (0.38) MCHR1CHRM2ACHEBCHEPOLB
SCHEMBL4695275 0.82 CHRM2 (0.35) MCHR1CHRM2HRH3
SCHEMBL5273742 0.77 NAMPT (0.35) CHRM2LMNADRD3
SCHEMBL4693546 0.75 POLB (0.40) ACHEBCHELMNAPOLB
SCHEMBL4695739 0.75 AKR1C3 (0.40) ACHEPOLB

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-1893577-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-03-05 EP claimed
WO-2006138218-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-12-28 WO claimed