SCHEMBL7018489

SCHEMBL7018489

Cc1sc2nc(N3CCC(OC(=O)O)CC3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE5A O76074 6/20 0.39
PDE2A O00408 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
CCR2 P41597 1/20 0.37
CDK1 P06493 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
KMT2A Q03164 1/20 0.37
CTNNB1 P35222 4/20 0.36
TCF7L2 Q9NQB0 4/20 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
SCHEMBL7020121 0.94 GAA (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018206 0.92 KMT2A (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018507 0.92 PDE5A (0.48) PDE5A
SCHEMBL8183202 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019165 0.90 HRH4 (0.45) HRH4CTNNB1TCF7L2
SCHEMBL7013850 0.90 EPHX2 (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7014878 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019915 0.90 PDE5A (0.42) PDE5A
SCHEMBL7017154 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018352 0.88 ESR1 (0.44) 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