SCHEMBL19856812

SCHEMBL19856812

O=C(O)c1cccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.60
CHRM2 P08172 17/20 0.60
CHRM1 P11229 17/20 0.60
CHRM5 P08912 3/20 0.49
CHRM4 P08173 2/20 0.49
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL19856561 0.90 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856624 0.87 CHRM3 (0.80) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856551 0.83 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856575 0.83 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856570 0.83 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL17313901 0.83 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL15755487 0.83 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856694 0.83 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856764 0.82 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856642 0.82 CHRM3 (0.69) 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