SCHEMBL19856561

SCHEMBL19856561

O=C(O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.63
CHRM2 P08172 17/20 0.63
CHRM1 P11229 17/20 0.63
CHRM5 P08912 3/20 0.52
CHRM4 P08173 2/20 0.52
CYP2D6 P10635 1/20 0.46

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
SCHEMBL15761800 0.90 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856812 0.90 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856798 0.86 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856658 0.86 CHRM2 (0.85) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856690 0.83 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL15776950 0.83 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856640 0.82 CHRM2 (0.66) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19406286 0.82 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856547 0.82 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856544 0.82 CHRM3 (0.57) 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 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