SCHEMBL7016530

SCHEMBL7016530

COc1ccc(CNc2nc(N3CCC(OC(=O)O)CC3)nc3sc(C(F)(F)F)cc23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.47

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
SCHEMBL7016859 0.93 ACHE (0.40) PDE5A
SCHEMBL7018309 0.92 PDE5A (0.46) PDE5A
SCHEMBL7019018 0.92 CTNNB1 (0.42) PDE5A
SCHEMBL8187926 0.91 PDE5A (0.52) PDE5A
SCHEMBL7019437 0.90 PDE5A (0.49) PDE5A
SCHEMBL7016377 0.90 PDE5A (0.47) PDE5A
SCHEMBL7016738 0.89 PDE5A (0.48) PDE5A
SCHEMBL8183157 0.88 PDE5A (0.47) PDE5A
SCHEMBL7012148 0.87 CTNNB1 (0.48)
SCHEMBL7011361 0.86 PDE5A (0.49) 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