SCHEMBL7015240

SCHEMBL7015240

O=C(O)OC1CCN(c2nc(NCc3ccc4c(c3)OCCO4)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
CNR1 P21554 2/20 0.45
GPR55 Q9Y2T6 2/20 0.45
CNR2 P34972 1/20 0.45
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
PDE5A O76074 2/20 0.43
PDE2A O00408 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
HTT P42858 6/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL7015052 0.95 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7016750 0.91 CNR1 (0.46) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8179966 0.90 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7010973 0.88 MAPT (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7020439 0.88 PTPN12 (0.45) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7009771 0.87 PDE5A (0.50) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7018537 0.86 KMT2A (0.48) CNR1GPR55PDE5AHTTMAPT
SCHEMBL7016674 0.86 PTPN12 (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7013393 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184822 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCNR1

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