SCHEMBL7013933

SCHEMBL7013933

CCOC(=O)OC1CCN(c2nc(NCc3ccc(OC)c(OC)c3)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.39
ACHE P22303 4/20 0.39
CTNNB1 P35222 4/20 0.39
TCF7L2 Q9NQB0 4/20 0.39
TP53 P04637 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE2A O00408 1/20 0.38
CCR4 P51679 1/20 0.38
PDE5A O76074 4/20 0.38
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL7018309 0.94 PDE5A (0.46) PDE5A
SCHEMBL7016859 0.92 ACHE (0.40) APPACHECTNNB1TCF7L2TP53
SCHEMBL7014745 0.91 APP (0.41) APPACHECTNNB1TCF7L2TP53
SCHEMBL7014936 0.90 CTNNB1 (0.47) CTNNB1TCF7L2
SCHEMBL7422776 0.90 CCR4 (0.42) APPACHETP53CCR4PDE5A
SCHEMBL7016913 0.90 APP (0.40) APPACHECTNNB1TCF7L2TP53
SCHEMBL8169893 0.90 ALDH1A1 (0.47) CTNNB1TCF7L2TP53PDE3BPDE3A
SCHEMBL7020185 0.89 CTNNB1 (0.39) CTNNB1TCF7L2PDE2APDE5A
SCHEMBL7018883 0.89 CTNNB1 (0.42) CTNNB1TCF7L2PDE5A
SCHEMBL8180973 0.87 PDE4A (0.46) APPACHECTNNB1TCF7L2TP53

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 1 patent. 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