SCHEMBL11461789

SCHEMBL11461789

C=CCCCCCn1cnc2c1c(=O)n(C)c(=O)n2CC

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.70
▸ PDE4B Q07343 10/20 0.70
▸ PDE4C Q08493 10/20 0.70
▸ PDE4D Q08499 10/20 0.70
▸ ADORA2B P29275 9/20 0.70
▸ ADORA2A P29274 7/20 0.70
▸ ADORA1 P30542 1/20 0.60

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
SCHEMBL11469342 0.99 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL11462320 0.91 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL10815947 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL11477589 0.89 ADORA2B (0.61) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL11458768 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL11476753 0.88 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL8071813 0.87 ADORA1 (0.76) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL10861746 0.87 ADORA1 (0.76) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL10813433 0.86 ADORA1 (0.74) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9294503 0.85 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DADORA2B

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
Send feedback