SCHEMBL11458747

SCHEMBL11458747

C=CCCn1cnc2c1c(=O)n(CCC)c(=O)n2CCC

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.85
▸ PDE4B Q07343 14/20 0.85
▸ PDE4C Q08493 14/20 0.85
▸ PDE4D Q08499 14/20 0.85
▸ ADORA2A P29274 10/20 0.85
▸ ADORA2B P29275 8/20 0.85
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ PDE1A P54750 1/20 0.55
▸ PDE1B Q01064 1/20 0.55
▸ PDE1C Q14123 1/20 0.55

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
SCHEMBL11458625 0.92 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11462233 0.92 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10817646 0.92 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11469319 0.91 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11469431 0.91 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11471017 0.89 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316171 0.87 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11466639 0.87 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11466640 0.86 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11612206 0.85 PDE4A (0.70) 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-4207321-A PROMOTES BLOOD PERFUSION HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-10 — — US disclosed
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