SCHEMBL7017176

SCHEMBL7017176

CCOC(=O)OC1CCN(c2nc(NCc3ccc(F)cc3)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 19/20 0.46
TCF7L2 Q9NQB0 19/20 0.46
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL7017521 0.93 HRH4 (0.41) CTNNB1TCF7L2HRH4
SCHEMBL7015106 0.90 PDE5A (0.38) CTNNB1TCF7L2HRH4
SCHEMBL8185688 0.90 CTNNB1 (0.46) CTNNB1TCF7L2
SCHEMBL7018532 0.90 CTNNB1 (0.44) CTNNB1TCF7L2HRH4
SCHEMBL7019169 0.90 PDE5A (0.39) CTNNB1TCF7L2
SCHEMBL7019931 0.89 CTNNB1 (0.49) CTNNB1TCF7L2HRH4
SCHEMBL7015708 0.89 MET (0.39) CTNNB1TCF7L2HRH4
SCHEMBL7014765 0.89 PDE5A (0.48) CTNNB1TCF7L2
SCHEMBL7018291 0.89 PDE5A (0.43) CTNNB1TCF7L2
SCHEMBL7015126 0.88 PDE5A (0.47)

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