SCHEMBL7011197

SCHEMBL7011197

Cc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(N3CCC(OC(=O)O)CC3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE5A O76074 3/20 0.41
PDE2A O00408 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
HRH4 Q9H3N8 6/20 0.40
CTNNB1 P35222 10/20 0.39
TCF7L2 Q9NQB0 10/20 0.39
HTR3A P46098 2/20 0.39

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
SCHEMBL7016738 0.92 PDE5A (0.48) PDE5A
SCHEMBL7020576 0.92 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7014223 0.91 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7013978 0.90 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8178638 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7017442 0.89 CTNNB1 (0.49) HRH4CTNNB1TCF7L2
SCHEMBL7016359 0.89 HRH4 (0.47) PDE5AHRH4CTNNB1TCF7L2HTR3A
SCHEMBL7019721 0.88 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019018 0.88 CTNNB1 (0.42) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7014271 0.88 APP (0.42) PDE4APDE4BPDE4CPDE4DPDE5A

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