SCHEMBL7016913

SCHEMBL7016913

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.40
ACHE P22303 4/20 0.40
TP53 P04637 1/20 0.39
CCR4 P51679 1/20 0.39
PDE5A O76074 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
CTNNB1 P35222 2/20 0.38
TCF7L2 Q9NQB0 2/20 0.38
BCHE P06276 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PDE2A O00408 1/20 0.38
P2RY12 Q9H244 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
SCHEMBL7016974 0.93 PDE5A (0.46) PDE5A
SCHEMBL7014745 0.92 APP (0.41) APPACHETP53CCR4PDE5A
SCHEMBL7015416 0.92 ACHE (0.41) APPACHETP53CCR4PDE5A
SCHEMBL7422776 0.91 CCR4 (0.42) APPACHETP53CCR4PDE5A
SCHEMBL8170704 0.90 ALDH1A1 (0.49) TP53CCR4PDE5AALDH1A1MEN1
SCHEMBL7013933 0.90 APP (0.39) APPACHETP53CCR4PDE5A
SCHEMBL7015667 0.89 CTNNB1 (0.48) CTNNB1TCF7L2
SCHEMBL7012151 0.89 PDE4A (0.40) PDE5AALDH1A1CTNNB1TCF7L2KDM4E
SCHEMBL7019169 0.88 PDE5A (0.39) APPACHETP53CCR4PDE5A
SCHEMBL7019661 0.88 ICAM1 (0.46) PDE5AALDH1A1CTNNB1TCF7L2KDM4E

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