SCHEMBL6017517

SCHEMBL6017517

CCCNC(=O)C1CCN(CCCCC(C)C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.65

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
SCHEMBL6017540 0.94 CHRM3 (0.61) CHRM3
SCHEMBL6017506 0.92 CHRM3 (0.62) CHRM3
SCHEMBL4431076 0.84 CHRM3 (0.62) CHRM3
SCHEMBL3545869 0.84 CHRM3 (0.70) CHRM3
SCHEMBL1360859 0.81 CHRM3 (0.66) CHRM3
SCHEMBL3446483 0.80 CHRM3 (0.62) CHRM3
SCHEMBL274339 0.79 CHRM3 (1.00) CHRM3
SCHEMBL10015121 0.79 CHRM3 (1.00) CHRM3
SCHEMBL13590162 0.79 CHRM3 (0.89) CHRM3
SCHEMBL1362744 0.79 CHRM3 (0.61) CHRM3

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-1723112-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP claimed
WO-2005087736-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO claimed
EP-1723112-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087736-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed