SCHEMBL7422776

SCHEMBL7422776

CCOC(=O)OC1CCN(c2nc(NCc3ccc(OC)c(OC)c3)c3cc(Cl)sc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.42
PDE5A O76074 11/20 0.41
APP P05067 3/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL7018705 0.95 PDE5A (0.47) PDE5A
SCHEMBL7014745 0.92 APP (0.41) CCR4PDE5AAPPACHETP53
SCHEMBL7016913 0.91 APP (0.40) CCR4PDE5AAPPACHETP53
SCHEMBL7011635 0.91 CCR4 (0.44) CCR4PDE5AAPPACHETP53
SCHEMBL7016678 0.90 PDE4A (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7013933 0.90 APP (0.39) CCR4PDE5AAPPACHETP53
SCHEMBL8181123 0.89 ALDH1A1 (0.49) CCR4PDE5ATP53PDE4APDE4B
SCHEMBL7016980 0.89 CTNNB1 (0.48) HRH4
SCHEMBL7010792 0.89 PDE5A (0.47) PDE5A
SCHEMBL7019169 0.88 PDE5A (0.39) CCR4PDE5AAPPACHETP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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