SCHEMBL33239

SCHEMBL33239

Cc1cncc(NC(=O)C[N+]23CCC(CC2)C(C(=O)C2(c4ccccc4)CCCCCC2)C3)n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.58

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
SCHEMBL33238 1.00 CHRM3 (0.58) CHRM3
Bromide SCHEMBL2190776 0.85 CHRM3 (0.75) CHRM3
Bromide SCHEMBL2190771 0.85 CHRM3 (0.75) CHRM3
SCHEMBL10147667 0.77 CHRM3 (0.74) CHRM3
Hydrochloric Acid SCHEMBL1428934 0.76 CHRM3 (0.64) CHRM3
Hydrochloric Acid SCHEMBL2187120 0.76 CHRM3 (0.64) CHRM3
Bromide SCHEMBL1037431 0.76 CHRM3 (0.73) CHRM3
SCHEMBL10147668 0.75 CHRM3 (0.74) CHRM3
Bromide SCHEMBL1040983 0.75 CHRM3 (0.73) CHRM3
Hydrochloric Acid SCHEMBL1821510 0.73 CHRM3 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4837800-B2 2011-12-14 JP claimed
JP-2011520853-A 2011-07-21 JP claimed
EP-2300464-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2011-03-30 EP claimed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO claimed