SCHEMBL7018291

SCHEMBL7018291

CCOC(=O)OC1CCN(c2nc(NCc3ccc4c(c3)OCCO4)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE2A O00408 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
PPP1CA P62136 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 2/20 0.38
ALOX15 P16050 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.37

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
SCHEMBL7014765 0.96 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7012667 0.91 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8184614 0.90 PDE4A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7011749 0.90 PDE4A (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7015106 0.89 PDE5A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7018945 0.89 PDE4A (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7020695 0.89 PDE4A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7017346 0.89 PDE4A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7017176 0.89 CTNNB1 (0.46) CTNNB1TCF7L2
SCHEMBL7017521 0.88 HRH4 (0.41) PDE5ACTNNB1TCF7L2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed