SCHEMBL7018532

SCHEMBL7018532

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

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 19/20 0.44
TCF7L2 Q9NQB0 19/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL7019173 0.93 PDE5A (0.42) CTNNB1TCF7L2HRH4
SCHEMBL8170003 0.90 PDE4A (0.47) CTNNB1TCF7L2HRH4
SCHEMBL7017176 0.90 CTNNB1 (0.46) CTNNB1TCF7L2HRH4
SCHEMBL7013944 0.90 PDE5A (0.41) CTNNB1TCF7L2HRH4
SCHEMBL7021443 0.88 PDE5A (0.41)
SCHEMBL7018879 0.88 PDE5A (0.42) HRH4
SCHEMBL7011066 0.88 PDE4A (0.53) CTNNB1TCF7L2
SCHEMBL7012667 0.88 PDE5A (0.48) CTNNB1TCF7L2
SCHEMBL7017442 0.86 CTNNB1 (0.49) CTNNB1TCF7L2HRH4
SCHEMBL7017050 0.86 HRH4 (0.50) CTNNB1TCF7L2HRH4

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