SCHEMBL11458748

SCHEMBL11458748

CC=CCn1cnc2c1c(=O)n(CCC)c(=O)n2CCC

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 15/20 0.63
▸ PDE4B Q07343 15/20 0.63
▸ PDE4C Q08493 15/20 0.63
▸ PDE4D Q08499 15/20 0.63
▸ ADORA2A P29274 11/20 0.63
▸ ADORA2B P29275 8/20 0.63
▸ 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

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
SCHEMBL316171 0.84 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27464533 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381252 0.79 ADORA2A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11458747 0.78 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3179304 0.77 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10809926 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10809922 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8656014 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL315866 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11458625 0.76 PDE4A (0.73) 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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