SCHEMBL8656014

SCHEMBL8656014

CCCn1c(=O)c2c(ncn2CP(C)(C)=O)n(CCC)c1=O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.62
▸ PDE4B Q07343 14/20 0.62
▸ PDE4C Q08493 14/20 0.62
▸ PDE4D Q08499 14/20 0.62
▸ ADORA2A P29274 11/20 0.62
▸ ADORA2B P29275 8/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62

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
SCHEMBL8655611 0.92 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316171 0.85 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8660416 0.83 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8660345 0.83 ADORA2A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27464533 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381252 0.80 ADORA2A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8659911 0.78 ADORA2B (0.64) ADORA2AADORA2B
SCHEMBL315866 0.78 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316911 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7460890 0.77 ADORA2A (0.60) PDE4APDE4BPDE4CPDE4DADORA2A

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
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
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