SCHEMBL21705353

SCHEMBL21705353

COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(N)=O)cc1Cl

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.78

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
SCHEMBL8487807 1.00 PDE5A (0.78) PDE5A
SCHEMBL23937265 0.93 PDE5A (0.68) PDE5A
SCHEMBL21705354 0.93 PDE5A (0.68) PDE5A
SCHEMBL5246859 0.93 PDE5A (0.79) PDE5A
SCHEMBL1679525 0.93 PDE5A (0.79) PDE5A
SCHEMBL29567827 0.93 PDE5A (0.79) PDE5A
SCHEMBL5246869 0.93 PDE5A (0.79) PDE5A
SCHEMBL1679522 0.93 PDE5A (0.79) PDE5A
SCHEMBL28412175 0.93 PDE5A (0.79) PDE5A
SCHEMBL8487823 0.92 PDE5A (0.81) PDE5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN claimed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN disclosed
WO-2020030489-A1 NITRIC OXIDE RELEASING PHOSPHODIESTERASE TYPE 5 INHIBITOR NICOX S.A. (FR) 2020-02-13 WO disclosed