SCHEMBL7019437

SCHEMBL7019437

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

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.49

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
SCHEMBL7011635 0.94 CCR4 (0.44) PDE5A
SCHEMBL7016738 0.93 PDE5A (0.48) PDE5A
SCHEMBL7016377 0.92 PDE5A (0.47) PDE5A
SCHEMBL7020576 0.91 PDE4A (0.44) PDE5A
SCHEMBL7018705 0.91 PDE5A (0.47) PDE5A
SCHEMBL8183217 0.90 PDE5A (0.56) PDE5A
SCHEMBL7016530 0.90 PDE5A (0.47) PDE5A
SCHEMBL7011361 0.90 PDE5A (0.49) PDE5A
SCHEMBL7017050 0.87 HRH4 (0.50)
SCHEMBL7020325 0.87 HRH4 (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