SCHEMBL11476753

SCHEMBL11476753

C=CCCCn1cnc2c1c(=O)n(CC)c(=O)n2CC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.62
▸ PDE4B Q07343 10/20 0.62
▸ PDE4C Q08493 10/20 0.62
▸ PDE4D Q08499 10/20 0.62
▸ ADORA2A P29274 8/20 0.62
▸ ADORA2B P29275 7/20 0.62
▸ ADORA1 P30542 1/20 0.51
▸ CNOT7 Q9UIV1 1/20 0.47

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
SCHEMBL10815947 0.97 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11466643 0.95 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11458768 0.93 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11458625 0.90 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10810942 0.90 ADORA2A (0.59) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11460447 0.89 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11469342 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11477589 0.89 ADORA2B (0.61) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11466640 0.89 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11469431 0.88 PDE4A (0.71) 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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