SCHEMBL3980489

SCHEMBL3980489

CCOc1cc(C2(C#N)CCN(CC(=O)NO)CC2)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 1.00
PDE4A P27815 19/20 1.00
PDE4C Q08493 19/20 1.00
PDE4D Q08499 19/20 1.00

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
SCHEMBL3170474 0.93 PDE4A (1.00) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3166585 0.92 PDE4A (0.98) PDE4BPDE4APDE4CPDE4D
SCHEMBL13526286 0.89 PDE4B (0.80) PDE4BPDE4APDE4CPDE4D
SCHEMBL3170778 0.89 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3176923 0.88 PDE4B (0.98) PDE4BPDE4APDE4CPDE4D
SCHEMBL3177117 0.87 PDE4A (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL13526462 0.87 PDE4B (0.77) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3176441 0.86 PDE4A (0.98) PDE4BPDE4APDE4CPDE4D
SCHEMBL28664943 0.85 PDE4A (0.84) PDE4BPDE4APDE4CPDE4D
SCHEMBL3174538 0.85 PDE4A (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308440-B1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-05-06 EP claimed
US-7649095-B2 Piperidine derivatives and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-19 US disclosed
EP-1308440-B1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-05-06 EP disclosed