SCHEMBL4748725

SCHEMBL4748725

Cc1cc(CN2CCNC(=O)C2)oc1C(=O)NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 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
SCHEMBL643530 0.87 CHRM3 (0.56) CHRM3
SCHEMBL4751956 0.86 CHRM3 (0.52) CHRM3
SCHEMBL3298620 0.85 CHRM3 (0.59) CHRM3
SCHEMBL643048 0.82 CHRM3 (0.51) CHRM3
SCHEMBL644248 0.79 CHRM2 (0.59) CHRM3
SCHEMBL3535978 0.77 CHRM3 (0.63) CHRM3
SCHEMBL643200 0.76 CHRM2 (0.56) CHRM3
SCHEMBL643688 0.75 CHRM3 (0.50) CHRM3
SCHEMBL643348 0.75 CHRM2 (0.74) CHRM3
SCHEMBL943879 0.74 CHRM3 (0.58) 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 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