SCHEMBL5810893

SCHEMBL5810893

CCN(NCc1cccs1)C(=O)c1cccc(C(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CHRM3 P20309 19/20 0.54
ADRB2 P07550 1/20 0.48

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
SCHEMBL266239 0.88 CHRM2 (0.56) CHRM2CHRM3ADRB2
SCHEMBL266141 0.84 CHRM2 (0.69) CHRM2CHRM3
SCHEMBL381835 0.81 CHRM2 (0.66) CHRM2CHRM3ADRB2
SCHEMBL265681 0.81 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL267098 0.81 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL266338 0.80 CHRM2 (0.65) CHRM2CHRM3
SCHEMBL5276987 0.80 CHRM2 (0.56) CHRM2CHRM3ADRB2
SCHEMBL265736 0.80 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL265206 0.79 CHRM2 (0.64) CHRM2CHRM3
SCHEMBL264491 0.79 CHRM2 (0.59) CHRM2CHRM3

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
WO-2006099091-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed