SCHEMBL5722166

SCHEMBL5722166

Nc1ccc(CCO)cc1.O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(CCO)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.62

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
SCHEMBL1190576 0.96 CHRM3 (0.65) CHRM3
SCHEMBL643472 0.89 CHRM3 (0.71) CHRM3
SCHEMBL1191254 0.89 CHRM3 (0.67) CHRM3
SCHEMBL1191228 0.86 CHRM3 (0.64) CHRM3
SCHEMBL1191067 0.86 CHRM3 (0.75) CHRM3
SCHEMBL3445045 0.84 CHRM2 (0.70) CHRM3
SCHEMBL3557859 0.84 CHRM3 (0.66) CHRM3
SCHEMBL3560215 0.84 CHRM3 (0.62) CHRM3
SCHEMBL644601 0.84 CHRM3 (0.65) CHRM3
SCHEMBL1191014 0.83 CHRM3 (0.75) 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-1685118-A2 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance, Inc. (US) 2006-08-02 EP disclosed
WO-2005051946-A2 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2005-06-09 WO disclosed