SCHEMBL7012667

SCHEMBL7012667

O=C(O)OC1CCN(c2nc(NCc3ccc4c(c3)OCCO4)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PDE2A O00408 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 3/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTNNB1 P35222 3/20 0.36
TCF7L2 Q9NQB0 3/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL7011066 0.95 PDE4A (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7018291 0.91 PDE5A (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8187337 0.90 PDE4A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7013944 0.89 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7011629 0.88 PDE4A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7019721 0.88 PDE4A (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7016616 0.88 PDE4A (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7018532 0.88 CTNNB1 (0.44) CTNNB1TCF7L2
SCHEMBL7019173 0.88 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7016253 0.87 PDE4A (0.49) PDE5APDE4APDE4BPDE4CPDE4D

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