SCHEMBL28664943

SCHEMBL28664943

COc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OCC1CC(F)(F)C1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.84
PDE4B Q07343 20/20 0.84
PDE4C Q08493 20/20 0.84
PDE4D Q08499 20/20 0.84

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
SCHEMBL3170778 0.91 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3176923 0.90 PDE4B (0.98) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL28667275 0.89 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL28689126 0.88 PDE4B (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL3170474 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3980489 0.85 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3166585 0.85 PDE4A (0.98) PDE4APDE4BPDE4CPDE4D
SCHEMBL3177117 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3176441 0.82 PDE4A (0.98) PDE4APDE4BPDE4CPDE4D
SCHEMBL3160937 0.81 PDE4B (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121417-A Novel piperidine derivative and pharmaceutical application thereof 苏州盛迪亚生物医药有限公司 2021-07-16 CN disclosed