SCHEMBL2015680

SCHEMBL2015680

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(c3ccccc3)CCCCCC1)C2)Nc1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.76

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
Hydrochloric Acid SCHEMBL1428277 1.00 CHRM3 (0.76) CHRM3
Hydrochloric Acid SCHEMBL2187318 1.00 CHRM3 (0.76) CHRM3
Hydrochloric Acid SCHEMBL1430645 0.92 CHRM3 (0.71) CHRM3
Hydrochloric Acid SCHEMBL1430643 0.92 CHRM3 (0.71) CHRM3
Hydrochloric Acid SCHEMBL2190021 0.91 CHRM3 (0.73) CHRM3
Hydrochloric Acid SCHEMBL2190308 0.91 CHRM3 (0.73) CHRM3
Bromide SCHEMBL2190179 0.90 CHRM3 (0.75) CHRM3
Bromide SCHEMBL2190176 0.90 CHRM3 (0.75) CHRM3
Hydrochloric Acid SCHEMBL1431355 0.89 CHRM3 (0.75) CHRM3
Hydrochloric Acid SCHEMBL1431357 0.89 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073662-A1 COMBINATION OF A BENZOXAZINONE AND A FURTHER AGENT FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-06-23 WO disclosed