SCHEMBL8179769

SCHEMBL8179769

COc1ccc(CNc2nc(N3CCC(C(=O)O)CC3)nc3sc(C)cc23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
PDE5A O76074 4/20 0.46
TP53 P04637 1/20 0.44
ACHE P22303 5/20 0.43
APP P05067 4/20 0.43
BCHE P06276 1/20 0.43
NPC1 O15118 1/20 0.42
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
RAB9A P51151 1/20 0.42
CCR4 P51679 1/20 0.42
PDE2A O00408 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41

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
SCHEMBL8184555 0.93 PDE5A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177701 0.91 ALDH1A1 (0.50) PDE5ATP53NPC1GALR3NR2F2
SCHEMBL8177126 0.91 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7014271 0.90 APP (0.42) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8185751 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180973 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8181251 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8182382 0.87 CTNNB1 (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7014745 0.86 APP (0.41) PDE5ATP53ACHEAPPBCHE
SCHEMBL8178638 0.86 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed