SCHEMBL8180973

SCHEMBL8180973

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PDE5A O76074 5/20 0.44
TP53 P04637 2/20 0.43
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
ACHE P22303 6/20 0.41
APP P05067 4/20 0.41
BCHE P06276 3/20 0.41
CCR4 P51679 1/20 0.40
PDE2A O00408 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 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
SCHEMBL8187926 0.93 PDE5A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8169893 0.92 ALDH1A1 (0.47) PDE5ATP53CTNNB1TCF7L2CCR4
SCHEMBL7016859 0.91 ACHE (0.40) PDE5ATP53CTNNB1TCF7L2ACHE
SCHEMBL8185751 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8179769 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177126 0.88 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7013933 0.87 APP (0.39) PDE5ATP53CTNNB1TCF7L2ACHE
SCHEMBL8182359 0.87 CTNNB1 (0.53) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL8184409 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180943 0.86 PDE4A (0.52) 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