SCHEMBL7017615

SCHEMBL7017615

CCOC(=O)OC1CCN(c2nc(NCc3ccc(OC)c(Cl)c3)c3c(Cl)c(C)sc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.46

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
SCHEMBL7014917 0.95 PDE5A (0.41) PDE5A
SCHEMBL7017441 0.94 PDE5A (0.46) PDE5A
SCHEMBL7018206 0.93 KMT2A (0.40) PDE5A
SCHEMBL7018507 0.93 PDE5A (0.48) PDE5A
SCHEMBL8179897 0.90 PDE5A (0.47) PDE5A
SCHEMBL7011555 0.89 PDE5A (0.44) PDE5A
SCHEMBL7018914 0.88 PDE5A (0.46) PDE5A
SCHEMBL7013874 0.88 KDM4E (0.43)
SCHEMBL7018811 0.88 PDE4A (0.45) PDE5A
SCHEMBL7010792 0.87 PDE5A (0.47) 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
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed