SCHEMBL7014745

SCHEMBL7014745

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.41
ACHE P22303 5/20 0.41
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
RAB9A P51151 1/20 0.40
CCR4 P51679 1/20 0.40
PDE5A O76074 4/20 0.39
CTNNB1 P35222 2/20 0.39
TCF7L2 Q9NQB0 2/20 0.39
BCHE P06276 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE2A O00408 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL7010792 0.93 PDE5A (0.47) PDE5A
SCHEMBL7016913 0.92 APP (0.40) APPACHETP53CCR4PDE5A
SCHEMBL7422776 0.92 CCR4 (0.42) APPACHETP53CCR4PDE5A
SCHEMBL7014271 0.91 APP (0.42) APPACHETP53NPC1GALR3
SCHEMBL7013933 0.91 APP (0.39) APPACHETP53CCR4PDE5A
SCHEMBL7019169 0.90 PDE5A (0.39) APPACHETP53CCR4PDE5A
SCHEMBL8177701 0.89 ALDH1A1 (0.50) TP53NPC1GALR3NR2F2RAB9A
SCHEMBL7019931 0.89 CTNNB1 (0.49) CTNNB1TCF7L2
SCHEMBL7014223 0.88 PDE4A (0.40) PDE5ACTNNB1TCF7L2PDE2AALDH1A1
SCHEMBL7017246 0.88 HRH4 (0.44) PDE5ACTNNB1TCF7L2

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