SCHEMBL8177101

SCHEMBL8177101

Cc1csc2nc(N3CCC(C(=O)O)CC3)nc(NCc3ccc4c(c3)OCCO4)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57
PDE5A O76074 2/20 0.49
PDE2A O00408 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
KDM4E B2RXH2 6/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CHRM4 P08173 2/20 0.41
ESR1 P03372 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 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 0.95 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171864 0.91 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7014926 0.90 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171364 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184643 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8179286 0.87 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7013347 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8181129 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171136 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8179370 0.85 CTNNB1 (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