SCHEMBL8187337

SCHEMBL8187337

O=C(O)C1CCN(c2nc(NCc3ccc4c(c3)OCCO4)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.59
PDE4B Q07343 2/20 0.59
PDE4C Q08493 2/20 0.59
PDE4D Q08499 2/20 0.59
PDE5A O76074 4/20 0.53
PDE2A O00408 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE1C Q14123 1/20 0.53
KDM4E B2RXH2 4/20 0.41
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL8177575 0.95 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7012667 0.90 PDE5A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184614 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180817 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8187391 0.88 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8179753 0.87 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184322 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8180789 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8183463 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8170003 0.86 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