SCHEMBL29061973

SCHEMBL29061973

CC[C@@H](C#N)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.56
PDE4B Q07343 5/20 0.54
PDE4D Q08499 4/20 0.54
PDE4C Q08493 3/20 0.54

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
SCHEMBL29061976 1.00 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL13016730 0.91 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL8574005 0.90 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL7352136 0.90 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL7325901 0.85 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL30530004 0.85 PDE4B (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL7363289 0.85 PDE4B (0.60) PDE4APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL7325827 0.84 PDE4A (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL7322576 0.84 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL7391023 0.84 PDE4A (0.71) PDE4APDE4BPDE4DPDE4C

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
CN-116655482-B Preparation method of gamma-aminobutyric acid derivatives 贵州大学 2024-06-04 CN disclosed
CN-116655482-A Preparation method of gamma-aminobutyric acid derivatives 贵州大学 2023-08-29 CN disclosed