SCHEMBL713680

SCHEMBL713680

CCN(NCC1CC1)C(=O)c1cccc(C(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.55

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
SCHEMBL5921860 0.93 CHRM3 (0.57) CHRM3
SCHEMBL268484 0.90 CHRM3 (0.53) CHRM3
SCHEMBL714031 0.89 CHRM3 (0.53) CHRM3
SCHEMBL5278240 0.89 CHRM3 (0.52) CHRM3
SCHEMBL3301257 0.89 CHRM3 (0.52) CHRM3
SCHEMBL713494 0.89 CHRM3 (0.52) CHRM3
SCHEMBL5323713 0.87 CHRM3 (0.50) CHRM3
SCHEMBL3196137 0.86 CHRM3 (0.49) CHRM3
SCHEMBL3299868 0.86 CHRM3 (0.49) CHRM3
SCHEMBL264492 0.85 CHRM3 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124627-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-02-28 US disclosed