Propanol

Propanol

SCHEMBL9430876

CCCO.CCCn1c(=O)c2[nH]cnc2n(Br)c1=O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 17/20 0.74
▸ PDE4B Q07343 17/20 0.74
▸ PDE4C Q08493 17/20 0.74
▸ PDE4D Q08499 17/20 0.74
▸ ADORA2A P29274 10/20 0.71
▸ ADORA2B P29275 7/20 0.70

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
SCHEMBL9430034 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7460178 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL515771 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430830 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
Ammonia Solution, Strong SCHEMBL10420651 0.82 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430425 0.82 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9649326 0.81 PDE4A (0.90) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5400933 0.79 PDE4A (0.91) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3842077 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381259 0.78 PDE4A (1.00) 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-5338741-A Cardiotonic agents NESTEC S.A. (CH) 1994-08-16 — — US disclosed
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