SCHEMBL7008986

SCHEMBL7008986

CCc1cc2c(NCc3ccc4c(c3)OCO4)nc(N3CCC(OC(=O)O)CC3)nc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
PDE5A O76074 5/20 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
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
KDM4E B2RXH2 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 4/20 0.41
PPP1CA P62136 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL7016253 0.95 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7020070 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016265 0.92 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7013552 0.91 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016904 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8181016 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7011893 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7021735 0.88 HRH4 (0.47) CTNNB1TCF7L2
SCHEMBL7014497 0.88 ICAM1 (0.48) PDE5ACTNNB1TCF7L2KDM4EALDH1A1
SCHEMBL8179397 0.88 PDE4A (0.57) 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 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