SCHEMBL7015105

SCHEMBL7015105

O=C(O)OC1CCN(c2nc(NCc3ccc4c(c3)OCCO4)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PDE5A O76074 2/20 0.47
PDE2A O00408 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
CTNNB1 P35222 11/20 0.39
TCF7L2 Q9NQB0 11/20 0.39
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
RXFP1 Q9HBX9 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL7011893 0.95 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7015224 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171215 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016253 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016616 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019018 0.88 CTNNB1 (0.42) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019721 0.88 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7012148 0.88 CTNNB1 (0.48) CTNNB1TCF7L2
SCHEMBL7017528 0.88 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019976 0.87 PDE5A (0.43) PDE5ACTNNB1TCF7L2KDM4E

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 1 patent. 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