SCHEMBL19895033

SCHEMBL19895033

O=C(O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 11/20 0.50
▸ PDE4B Q07343 4/20 0.50
▸ CHRM2 P08172 3/20 0.47
▸ CHRM1 P11229 3/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ PDE2A O00408 2/20 0.44
▸ PDE6D O43924 2/20 0.44
▸ PDE8A O60658 2/20 0.44
▸ PDE5A O76074 2/20 0.44
▸ PDE9A O76083 2/20 0.44
▸ PDE8B O95263 2/20 0.44
▸ PDE6A P16499 2/20 0.44
▸ PDE6G P18545 2/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE6B P35913 2/20 0.44
▸ PDE6C P51160 2/20 0.44
▸ PDE1A P54750 2/20 0.44
▸ PDE1B Q01064 2/20 0.44
▸ PDE4C Q08493 2/20 0.44

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
SCHEMBL19894808 0.91 CHRM3 (0.55) CHRM3PDE4BCHRM2CHRM1PDE2A
SCHEMBL2484634 0.91 CHRM3 (0.54) CHRM3PDE4BCHRM2CHRM1CHRM4
SCHEMBL2485738 0.91 CHRM3 (0.54) CHRM3PDE4BCHRM2CHRM1CHRM4
SCHEMBL2485740 0.91 CHRM3 (0.54) CHRM3PDE4BCHRM2CHRM1CHRM4
SCHEMBL19894945 0.89 CHRM3 (0.53) CHRM3PDE4BCHRM2CHRM1CHRM4
SCHEMBL19894823 0.89 CHRM3 (0.52) CHRM3PDE4BCHRM2CHRM1CHRM4
SCHEMBL19894803 0.86 CHRM3 (0.46) CHRM3PDE4BCHRM2CHRM1CHRM4
SCHEMBL19894822 0.85 CHRM3 (0.47) CHRM3PDE4BCHRM2CHRM1CHRM4
SCHEMBL2484693 0.84 CHRM3 (0.58) CHRM3PDE4BCHRM2CHRM1CHRM4
SCHEMBL1696030 0.84 CHRM3 (0.58) CHRM3PDE4BCHRM2CHRM1CHRM4

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-2928879-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-28 — — EP claimed
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