SCHEMBL3976093

SCHEMBL3976093

CCOc1cc(C2(C#N)CCN(C3(C(=O)NO)CC3)CC2)ccc1OC

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.72
PDE4A P27815 19/20 0.72
PDE4C Q08493 19/20 0.72
PDE4D Q08499 19/20 0.72

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 0.90 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL3175816 0.89 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3160593 0.88 PDE4B (0.72) PDE4BPDE4APDE4CPDE4D
SCHEMBL13843756 0.86 PDE4A (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL13843761 0.84 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL3169855 0.84 PDE4A (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL3177220 0.84 PDE4A (0.96) PDE4BPDE4APDE4CPDE4D
SCHEMBL3980489 0.83 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3174221 0.83 PDE4A (0.98) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3177820 0.83 PDE4A (0.95) 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-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