SCHEMBL19894843

SCHEMBL19894843

COc1cccc(C(NCc2cccc(C(=O)O)c2)C(=O)O[C@H]2CN3CCC2CC3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 18/20 0.57
▸ PDE4B Q07343 4/20 0.55
▸ PDE2A O00408 2/20 0.55
▸ PDE6D O43924 2/20 0.55
▸ PDE8A O60658 2/20 0.55
▸ PDE5A O76074 2/20 0.55
▸ PDE9A O76083 2/20 0.55
▸ PDE8B O95263 2/20 0.55
▸ PDE6A P16499 2/20 0.55
▸ PDE6G P18545 2/20 0.55
▸ PDE4A P27815 2/20 0.55
▸ PDE6B P35913 2/20 0.55
▸ PDE6C P51160 2/20 0.55
▸ PDE1A P54750 2/20 0.55
▸ PDE1B Q01064 2/20 0.55
▸ PDE4C Q08493 2/20 0.55
▸ PDE4D Q08499 2/20 0.55
▸ PDE3B Q13370 2/20 0.55
▸ PDE7A Q13946 2/20 0.55
▸ PDE6H Q13956 2/20 0.55

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
SCHEMBL19894855 0.92 CHRM3 (0.57) CHRM3PDE4BPDE2APDE6DPDE8A
SCHEMBL19895028 0.90 CHRM3 (0.59) CHRM3PDE4BPDE2APDE6DPDE8A
SCHEMBL19894858 0.88 CHRM3 (0.53) CHRM3PDE4BPDE2APDE6DPDE8A
SCHEMBL19894993 0.87 CHRM3 (0.53) CHRM3PDE4BPDE2APDE6DPDE8A
SCHEMBL19894930 0.85 CHRM3 (0.56) CHRM3PDE4BPDE2APDE6DPDE8A
SCHEMBL19894945 0.85 CHRM3 (0.53) CHRM3PDE4BPDE2APDE6DPDE8A
SCHEMBL19894894 0.85 CHRM3 (0.55) CHRM3MEN1KMT2A
SCHEMBL19894819 0.83 CHRM3 (0.53) CHRM3PDE4BPDE2APDE6DPDE8A
SCHEMBL19894982 0.82 CHRM3 (0.55) CHRM3PDE4BPDE2APDE6DPDE8A
SCHEMBL2483492 0.82 CHRM3 (0.56) CHRM3PDE4BPDE2APDE6DPDE8A

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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