SCHEMBL7018914

SCHEMBL7018914

CCOC(=O)OC1CCN(c2nc(NCc3ccc(OC)c(Cl)c3)c3c(C)csc3n2)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
SCHEMBL7016510 0.93 TP53 (0.40) PDE5A
SCHEMBL7012518 0.93 ESR1 (0.42) PDE5A
SCHEMBL7015450 0.92 PDE5A (0.48) PDE5A
SCHEMBL8169967 0.90 PDE5A (0.47) PDE5A
SCHEMBL7017441 0.88 PDE5A (0.46) PDE5A
SCHEMBL7017615 0.88 PDE5A (0.46) PDE5A
SCHEMBL7011555 0.87 PDE5A (0.44) PDE5A
SCHEMBL8185408 0.87 PDE5A (0.52) PDE5A
SCHEMBL7011880 0.86 CTNNB1 (0.45)
SCHEMBL7010792 0.86 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 1 patent. 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