SCHEMBL7013401

SCHEMBL7013401

O=C(O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.40
PDE5A O76074 2/20 0.40
KCNH2 Q12809 7/20 0.39
TDO2 P48775 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
SCHEMBL7018675 0.92 MET (0.43) METKCNH2
SCHEMBL8178194 0.90 PDE4A (0.43) METPDE5AKCNH2
SCHEMBL7018879 0.89 PDE5A (0.42) METPDE5A
SCHEMBL7019976 0.89 PDE5A (0.43) PDE5A
SCHEMBL7016414 0.89 PDE5A (0.41) METPDE5A
SCHEMBL7015155 0.89 PDE5A (0.42) METPDE5A
SCHEMBL7020117 0.89 PDE5A (0.42) METPDE5AKCNH2
SCHEMBL8181963 0.87 MET (0.44) METKCNH2
SCHEMBL7012148 0.85 CTNNB1 (0.48)
SCHEMBL7016859 0.84 ACHE (0.40) PDE5A

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