SCHEMBL7019018

SCHEMBL7019018

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.42
TCF7L2 Q9NQB0 9/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE5A O76074 3/20 0.40
PDE2A O00408 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
HRH4 Q9H3N8 3/20 0.39

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
SCHEMBL7016530 0.92 PDE5A (0.47) PDE5A
SCHEMBL7020185 0.91 CTNNB1 (0.39) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7012148 0.90 CTNNB1 (0.48) CTNNB1TCF7L2HRH4
SCHEMBL8180943 0.90 PDE4A (0.52) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7020576 0.89 PDE4A (0.44) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7019976 0.89 PDE5A (0.43) CTNNB1TCF7L2PDE5AHRH4
SCHEMBL7015105 0.88 PDE4A (0.48) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7013978 0.88 PDE4A (0.43) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7011197 0.88 PDE4A (0.43) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7016859 0.88 ACHE (0.40) CTNNB1TCF7L2PDE5A

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