SCHEMBL7014223

SCHEMBL7014223

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CTNNB1 P35222 7/20 0.39
TCF7L2 Q9NQB0 7/20 0.39
HRH4 Q9H3N8 3/20 0.39
PDE5A O76074 4/20 0.38
PDE2A O00408 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
P2RY12 Q9H244 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL7016678 0.94 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL7010792 0.92 PDE5A (0.47) PDE5A
SCHEMBL7012151 0.92 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL7011197 0.91 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL7020185 0.91 CTNNB1 (0.39) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL7015106 0.90 PDE5A (0.38) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL7019931 0.90 CTNNB1 (0.49) CTNNB1TCF7L2HRH4
SCHEMBL8179712 0.89 SMN1; SMN2 (0.51) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL7017246 0.89 HRH4 (0.44) CTNNB1TCF7L2HRH4PDE5ASMN1; SMN2
SCHEMBL7011749 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCTNNB1

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