SCHEMBL7016253

SCHEMBL7016253

CCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(N3CCC(OC(=O)O)CC3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
PDE5A O76074 2/20 0.48
PDE2A O00408 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
P2RY12 Q9H244 2/20 0.39
CTNNB1 P35222 4/20 0.39
TCF7L2 Q9NQB0 4/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PPP1CA P62136 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL7008986 0.95 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018945 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019721 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7016616 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8183463 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7015105 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7013978 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7021735 0.88 HRH4 (0.47) CTNNB1TCF7L2
SCHEMBL7014497 0.88 ICAM1 (0.48) PDE5AP2RY12CTNNB1TCF7L2KDM4E
SCHEMBL7020070 0.88 PDE4A (0.46) 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