SCHEMBL1434656

SCHEMBL1434656

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(c3ccccc3)CCCCCC1)C2)Nc1cc(F)cc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.67

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
Bromide SCHEMBL2190287 0.99 CHRM3 (0.66) CHRM3
Bromide SCHEMBL2190283 0.99 CHRM3 (0.66) CHRM3
SCHEMBL10147645 0.94 CHRM3 (0.75) CHRM3
Bromide SCHEMBL1038765 0.93 CHRM3 (0.74) CHRM3
Hydrochloric Acid SCHEMBL2189047 0.90 CHRM3 (0.61) CHRM3
Hydrochloric Acid SCHEMBL1427982 0.90 CHRM3 (0.61) CHRM3
Bromide SCHEMBL2190179 0.90 CHRM3 (0.75) CHRM3
Bromide SCHEMBL2190176 0.90 CHRM3 (0.75) CHRM3
Hydrochloric Acid SCHEMBL2190021 0.87 CHRM3 (0.73) CHRM3
Bromide SCHEMBL1428265 0.87 CHRM3 (0.61) 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-2300464-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2011-03-30 EP disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed