SCHEMBL7015667

SCHEMBL7015667

CCOC(=O)OC1CCN(c2nc(NCc3ccc(F)cc3)c3cc(CC)sc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 18/20 0.48
TCF7L2 Q9NQB0 18/20 0.48
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
SCHEMBL7019661 0.93 ICAM1 (0.46) CTNNB1TCF7L2HRH4
SCHEMBL7019931 0.92 CTNNB1 (0.49) CTNNB1TCF7L2HRH4
SCHEMBL7021735 0.91 HRH4 (0.47) CTNNB1TCF7L2HRH4
SCHEMBL7016980 0.90 CTNNB1 (0.48) CTNNB1TCF7L2HRH4
SCHEMBL8185631 0.90 CTNNB1 (0.49) CTNNB1TCF7L2HRH4
SCHEMBL7012151 0.90 PDE4A (0.40) CTNNB1TCF7L2HRH4
SCHEMBL7014936 0.90 CTNNB1 (0.47) CTNNB1TCF7L2HRH4
SCHEMBL7016913 0.89 APP (0.40) CTNNB1TCF7L2
SCHEMBL7016265 0.88 PDE4A (0.51) CTNNB1TCF7L2
SCHEMBL7018945 0.88 PDE4A (0.46) CTNNB1TCF7L2

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