SCHEMBL267575

SCHEMBL267575

Cc1c(NC(=O)CCN2CCCC2)cccc1C(=O)NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.59

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
SCHEMBL714220 0.94 CHRM3 (0.59) CHRM3
SCHEMBL3194562 0.92 CHRM3 (0.59) CHRM3
SCHEMBL3183764 0.91 CHRM3 (0.61) CHRM3
SCHEMBL266690 0.84 CHRM3 (0.56) CHRM3
SCHEMBL3543005 0.81 CHRM3 (0.71) CHRM3
SCHEMBL4432812 0.81 CHRM3 (0.59) CHRM3
SCHEMBL13592139 0.80 CHRM3 (0.64) CHRM3
SCHEMBL13590105 0.80 CHRM3 (0.81) CHRM3
SCHEMBL12909553 0.80 CHRM3 (0.69) CHRM3
SCHEMBL278884 0.79 CHRM3 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133905-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-03-13 US disclosed
US-8124627-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-02-28 US disclosed
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