SCHEMBL7013944

SCHEMBL7013944

O=C(O)OC1CCN(c2nc(NCc3ccc(Cl)c(Cl)c3)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE2A O00408 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
HRH4 Q9H3N8 6/20 0.37
MCHR1 Q99705 1/20 0.36
CTNNB1 P35222 6/20 0.35
TCF7L2 Q9NQB0 6/20 0.35
HTR3A P46098 2/20 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
SCHEMBL7011361 0.92 PDE5A (0.49) PDE5A
SCHEMBL7015106 0.90 PDE5A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8180817 0.90 PDE4A (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7018532 0.90 CTNNB1 (0.44) HRH4CTNNB1TCF7L2
SCHEMBL7019173 0.90 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7020576 0.89 PDE4A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7012667 0.89 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7021443 0.88 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7018879 0.88 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7011197 0.87 PDE4A (0.43) 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