SCHEMBL19856635

SCHEMBL19856635

O=C(O)c1ccc(COc2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.73
CHRM2 P08172 18/20 0.73
CHRM1 P11229 18/20 0.73
CHRM5 P08912 3/20 0.60
CHRM4 P08173 2/20 0.60
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52

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
SCHEMBL19856658 0.92 CHRM2 (0.85) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856669 0.91 CHRM3 (0.71) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL17320533 0.91 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL15772574 0.91 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL17327537 0.89 CHRM2 (0.70) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL17313935 0.86 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL17320535 0.86 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856581 0.86 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL1924243 0.85 CHRM2 (1.00) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL2828617 0.85 CHRM2 (1.00) 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