SCHEMBL7015604

SCHEMBL7015604

CCOC(=O)OC1CCN(c2nc(NCCc3ccc4c(c3)OCO4)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
KDR P35968 2/20 0.42
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
KDM4E B2RXH2 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PPP1CA P62136 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 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
SCHEMBL7016442 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7017528 0.92 PDE4A (0.45) FLT1PDE4APDE4BPDE4CPDE4D
SCHEMBL7009748 0.92 PDE4A (0.44) FLT1PDE4APDE4BPDE4CPDE4D
SCHEMBL7018279 0.91 PDE4A (0.43) FLT1PDE4APDE4BPDE4CPDE4D
SCHEMBL7018695 0.90 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL8184079 0.90 PDE4A (0.46) FLT1PDE4APDE4BPDE4CPDE4D
SCHEMBL7015224 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7020695 0.88 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL8179808 0.86 PDE4A (0.56) FLT1PDE4APDE4BPDE4CPDE4D
SCHEMBL7019806 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE2A

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