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SCHEMBL1758738

SCHEMBL1758738

O=C(Cc1csc(NC(=O)OCC23CC4CC(C2)CC(c2ccccc2)(C4)C3)n1)NO

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PDE1A P54750 6/20 0.45
▸ PDE1B Q01064 6/20 0.45
▸ PDE1C Q14123 6/20 0.45
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL1758601 0.86 PDE5A (0.54) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758918 0.86 PDE5A (0.44) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL6880659 0.81 PDE5A (0.47) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758817 0.81 PDE5A (0.50) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758703 0.79 PDE5A (0.40) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL6880652 0.77 PDE5A (0.47) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL6876782 0.77 PDE5A (0.42) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL6878810 0.76 PDE5A (0.39) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758713 0.73 PDE5A (0.54) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758692 0.72 PDE5A (0.56) PDE5AKDM4EPDE1APDE1BPDE1C

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
WO-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 — — WO claimed