SCHEMBL7020185

SCHEMBL7020185

CCOC(=O)OC1CCN(c2nc(NCc3ccc(Cl)c(Cl)c3)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.39
TCF7L2 Q9NQB0 9/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
P2RY12 Q9H244 1/20 0.38
HRH4 Q9H3N8 3/20 0.37
PDE5A O76074 3/20 0.37
PDE2A O00408 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 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
SCHEMBL7018309 0.93 PDE5A (0.46) PDE5A
SCHEMBL7014223 0.91 PDE4A (0.40) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7016678 0.91 PDE4A (0.40) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7019018 0.91 CTNNB1 (0.42) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7014936 0.91 CTNNB1 (0.47) CTNNB1TCF7L2HRH4
SCHEMBL7012151 0.89 PDE4A (0.40) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL8171286 0.89 KDM4E (0.48) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7018883 0.89 CTNNB1 (0.42) CTNNB1TCF7L2HRH4PDE5A
SCHEMBL7015224 0.89 PDE4A (0.44) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7013933 0.89 APP (0.39) CTNNB1TCF7L2PDE5APDE2A

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