SCHEMBL19856563

SCHEMBL19856563

O=C(O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(F)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 19/20 0.80
CHRM1 P11229 19/20 0.80
CHRM3 P20309 19/20 0.80
CHRM5 P08912 3/20 0.60
CHRM4 P08173 2/20 0.60
LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL5006871 0.92 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL5006110 0.92 CHRM2 (0.90) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL5006105 0.92 CHRM2 (0.90) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL5006869 0.92 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856565 0.92 CHRM3 (0.85) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL15761752 0.90 CHRM3 (0.76) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856552 0.90 CHRM3 (0.69) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856658 0.89 CHRM2 (0.85) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856816 0.89 CHRM3 (0.68) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856557 0.89 CHRM2 (0.71) CHRM2CHRM1CHRM3CHRM5CHRM4

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