SCHEMBL7011635

SCHEMBL7011635

COc1ccc(CNc2nc(N3CCC(OC(=O)O)CC3)nc3sc(Cl)cc23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.44
PDE5A O76074 9/20 0.43
APP P05067 5/20 0.42
HRH4 Q9H3N8 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
ACHE P22303 4/20 0.42
BCHE P06276 1/20 0.42
TP53 P04637 1/20 0.41
PDE2A O00408 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40

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
SCHEMBL7019437 0.94 PDE5A (0.49) PDE5A
SCHEMBL7014271 0.91 APP (0.42) CCR4PDE5AAPPHRH4PDE4A
SCHEMBL7422776 0.91 CCR4 (0.42) CCR4PDE5AAPPHRH4PDE4A
SCHEMBL8177126 0.90 PDE4A (0.52) CCR4PDE5AAPPHRH4PDE4A
SCHEMBL7015416 0.90 ACHE (0.41) CCR4PDE5AAPPHRH4PDE4A
SCHEMBL7020576 0.88 PDE4A (0.44) PDE5AHRH4PDE4APDE4BPDE4C
SCHEMBL7016859 0.88 ACHE (0.40) CCR4PDE5AAPPACHEBCHE
SCHEMBL7021443 0.88 PDE5A (0.41) CCR4PDE5AAPPPDE4APDE4B
SCHEMBL7017050 0.88 HRH4 (0.50) HRH4
SCHEMBL7020325 0.87 HRH4 (0.47) PDE5AHRH4PDE4APDE4BPDE4C

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