SCHEMBL8184643

SCHEMBL8184643

Cc1csc2nc(N3CCC(C(=O)O)CC3)nc(NCCc3ccc4c(c3)OCO4)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
PDE5A O76074 2/20 0.46
PDE2A O00408 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
KDM4E B2RXH2 8/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 2/20 0.40
IDO1 P14902 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
SCHEMBL8181031 0.92 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171273 0.91 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016846 0.90 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8185851 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177101 0.87 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7020085 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171191 0.86 KDM4E (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8177961 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8182179 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177876 0.84 PDE4A (0.53) 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