SCHEMBL19856583

SCHEMBL19856583

O=C(O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.60
CHRM2 P08172 17/20 0.60
CHRM1 P11229 17/20 0.60
CHRM5 P08912 3/20 0.58
CHRM4 P08173 2/20 0.58
PDE4B Q07343 1/20 0.49

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
SCHEMBL19856603 0.94 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL5006125 0.91 CHRM1 (0.61) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL5006127 0.91 CHRM1 (0.61) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL15761797 0.91 CHRM3 (0.54) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856714 0.90 CHRM3 (0.74) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL1924855 0.89 CHRM2 (0.74) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856546 0.89 CHRM2 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL5011058 0.88 CHRM2 (0.72) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL5011049 0.88 CHRM2 (0.72) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL17313901 0.88 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4

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-2928880-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-14 EP claimed
EP-2928880-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-14 EP disclosed