SCHEMBL19856665

SCHEMBL19856665

O=C(O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cncc(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.63
CHRM2 P08172 18/20 0.63
CHRM1 P11229 18/20 0.63
CHRM5 P08912 3/20 0.54
CHRM4 P08173 2/20 0.54
PDE4B Q07343 1/20 0.43

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
SCHEMBL15776871 0.88 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856563 0.87 CHRM2 (0.80) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856825 0.87 CHRM3 (0.83) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856628 0.86 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856547 0.85 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856658 0.83 CHRM2 (0.85) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856798 0.82 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856562 0.81 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856725 0.81 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856580 0.81 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 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