SCHEMBL8178238

SCHEMBL8178238

CCOC(=O)C1CCN(c2nc(NCCc3ccc4c(c3)OCO4)c3cc(C)sc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PDE5A O76074 2/20 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
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8171195 0.94 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177755 0.93 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8178312 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184079 0.91 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8182179 0.91 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8178305 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7009748 0.90 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180218 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8181661 0.87 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7022657 0.87 PDE4A (0.47) 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