SCHEMBL8659000

SCHEMBL8659000

CCn1cnc2c1c(=O)n(CP(C)(C)=O)c(=O)n2C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.59
▸ PDE4A P27815 4/20 0.59
▸ ADORA2A P29274 4/20 0.59
▸ PDE4B Q07343 3/20 0.59
▸ PDE4C Q08493 3/20 0.59
▸ PDE4D Q08499 3/20 0.59
▸ TRPA1 O75762 2/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL22471417 0.86 ADORA2B (0.68) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8656098 0.85 ADORA2B (0.63) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8657814 0.82 ADORA2B (0.49) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8660416 0.82 PDE4A (0.60) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL2119480 0.82 ADORA2B (0.63) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL460341 0.82 ADORA2B (0.63) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8659911 0.80 ADORA2B (0.64) ADORA2BADORA2ALMNAMAPTACHE
SCHEMBL27552726 0.80 ADORA2B (0.60) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL516014 0.79 ADORA2B (0.72) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8660345 0.79 ADORA2A (0.64) ADORA2BPDE4AADORA2APDE4BPDE4C

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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