SCHEMBL8179151

SCHEMBL8179151

O=C(O)C1CCN(c2nc(NCc3ccc(Cl)c(Cl)c3)c3cc(Cl)sc3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4C Q08493 2/20 0.56
PDE4D Q08499 2/20 0.56
PDE5A O76074 4/20 0.47
PDE2A O00408 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
CTNNB1 P35222 12/20 0.42
TCF7L2 Q9NQB0 12/20 0.42
HRH4 Q9H3N8 1/20 0.41
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8178638 0.91 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8183217 0.90 PDE5A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180758 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8182511 0.90 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8186066 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184322 0.89 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180943 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7020576 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180817 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8183490 0.88 SMN1; SMN2 (0.51) 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