SCHEMBL10076905

SCHEMBL10076905

O=C(CC(c1cccc(F)c1)c1cccc(F)c1)O[C@H]1C[N+]2(CC(=O)c3ccncc3)CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.40
CHRM2 P08172 6/20 0.40
CHRM1 P11229 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
PDE4A P27815 1/20 0.35

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
SCHEMBL230903 0.87 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1KMT2A
SCHEMBL230902 0.87 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1KMT2A
SCHEMBL880941 0.86 CHRM3 (0.40) CHRM3CHRM2CHRM1
SCHEMBL231411 0.80 CHRM3 (0.44) CHRM3CHRM2CHRM1NPSR1KMT2A
SCHEMBL231410 0.80 CHRM3 (0.44) CHRM3CHRM2CHRM1NPSR1KMT2A
SCHEMBL880930 0.79 CHRM3 (0.59) CHRM3CHRM2CHRM1
SCHEMBL10077934 0.79 CHRM2 (0.48) CHRM3CHRM2CHRM1
SCHEMBL229337 0.78 CHRM3 (0.40) CHRM3CHRM2CHRM1NPSR1KMT2A
SCHEMBL229338 0.78 CHRM3 (0.40) CHRM3CHRM2CHRM1NPSR1KMT2A
SCHEMBL10077722 0.77 CHRM3 (0.38) CHRM3CHRM2CHRM1

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
EP-2313404-B1 QUINUCLIDINE CARBONATE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2012-03-28 EP disclosed