SCHEMBL3185671

SCHEMBL3185671

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1cccc(NC(=O)C(N)C2CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.62
CHRM3 P20309 19/20 0.56

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
SCHEMBL3183768 0.93 CHRM2 (0.63) CHRM2CHRM3
SCHEMBL3194575 0.92 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL3185074 0.91 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL3185069 0.91 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL3194569 0.89 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL266994 0.87 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL267576 0.87 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL267952 0.87 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL266041 0.86 CHRM2 (0.72) CHRM2CHRM3
SCHEMBL266141 0.86 CHRM2 (0.69) 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
US-7659403-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-[methyl(3-(2-[(thiophen-2-ylmethyl)amino]ethylcarbamoyl)benzoyl)amino]ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2010-02-09 US disclosed