SCHEMBL8660345

SCHEMBL8660345

CCCCn1cnc2c1c(=O)n(CP(C)(C)=O)c(=O)n2CCCC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.64
▸ PDE4A P27815 11/20 0.60
▸ PDE4B Q07343 11/20 0.60
▸ PDE4C Q08493 11/20 0.60
▸ PDE4D Q08499 11/20 0.60
▸ ADORA2B P29275 4/20 0.60
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CNOT7 Q9UIV1 4/20 0.50

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 0.91 PDE4A (0.65) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL21381252 0.85 ADORA2A (0.82) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8656014 0.83 PDE4A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8912388 0.82 PDE4A (0.74) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9040437 0.82 ADORA2A (0.67) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7451534 0.81 ADORA2A (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27515234 0.81 ADORA2A (0.66) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8660416 0.80 PDE4A (0.60) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7455511 0.80 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8659000 0.79 ADORA2B (0.59) ADORA2APDE4APDE4BPDE4CPDE4D

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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