SCHEMBL7215491

SCHEMBL7215491

COCOc1cc(C2(C#N)CCN(C3(C(=O)O)CC3)CC2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.57
PDE4A P27815 19/20 0.57
PDE4C Q08493 19/20 0.57
PDE4D Q08499 19/20 0.57

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
SCHEMBL13526155 0.91 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL3176101 0.88 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL3160359 0.87 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL7215575 0.84 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL3166256 0.82 PDE4A (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL3181091 0.82 PDE4A (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL3976093 0.81 PDE4B (0.72) PDE4BPDE4APDE4CPDE4D
SCHEMBL13526248 0.79 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL3175816 0.78 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3160593 0.77 PDE4B (0.72) PDE4BPDE4APDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308440-A1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-07 EP claimed
EP-1308440-A1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-07 EP disclosed