SCHEMBL3974549

SCHEMBL3974549

COc1ccc(C2(C#N)CCN(CCCC(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.80
PDE4B Q07343 20/20 0.80
PDE4C Q08493 20/20 0.80
PDE4D Q08499 20/20 0.80

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
SCHEMBL3174966 0.94 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL3169940 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3166204 0.90 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL3166307 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL3179852 0.89 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL3174850 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3167276 0.87 PDE4A (0.96) PDE4APDE4BPDE4CPDE4D
SCHEMBL3176481 0.86 PDE4A (0.83) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3160530 0.86 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL3170369 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D

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 4 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
EP-1308440-A1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-07 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