SCHEMBL8185751

SCHEMBL8185751

CCc1cc2c(NCc3ccc(OC)c(OC)c3)nc(N3CCC(C(=O)O)CC3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 18)

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 0.45
TP53 P04637 2/20 0.43
PDE2A O00408 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
ACHE P22303 6/20 0.42
APP P05067 4/20 0.42
BCHE P06276 2/20 0.42
BACE1 P56817 1/20 0.42
CCR4 P51679 1/20 0.41
P2RY12 Q9H244 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL8178906 0.93 PDE5A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8170704 0.92 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7015416 0.90 ACHE (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8179769 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177126 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180973 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8181130 0.87 ICAM1 (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016913 0.87 APP (0.40) PDE5ATP53PDE2AACHEAPP
SCHEMBL8182511 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180347 0.86 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D

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