SCHEMBL7019173

SCHEMBL7019173

O=C(O)OC1CCN(c2nc(NCc3ccccc3)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.42
HRH4 Q9H3N8 2/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR3A P46098 1/20 0.41
CTNNB1 P35222 12/20 0.40
TCF7L2 Q9NQB0 12/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL7018532 0.93 CTNNB1 (0.44) HRH4CTNNB1TCF7L2
SCHEMBL7018879 0.93 PDE5A (0.42) PDE5AHRH4KDM4EMAPTPDE4A
SCHEMBL7017521 0.90 HRH4 (0.41) PDE5AHRH4HTR2ADRD3HTR3A
SCHEMBL7013944 0.90 PDE5A (0.41) PDE5AHRH4HTR3ACTNNB1TCF7L2
SCHEMBL8180789 0.89 PDE4A (0.47) PDE5AHRH4HTR2ADRD3KDM4E
SCHEMBL7021443 0.88 PDE5A (0.41) PDE5AMAPTPDE4APDE4BPDE4C
SCHEMBL7012667 0.88 PDE5A (0.48) PDE5AKDM4EMAPTMAPK1CTNNB1
SCHEMBL7011066 0.88 PDE4A (0.53) PDE5AKDM4EMAPTMAPK1CTNNB1
SCHEMBL7011361 0.86 PDE5A (0.49) PDE5A
SCHEMBL7016359 0.86 HRH4 (0.47) PDE5AHRH4HTR2ADRD3KDM4E

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