SCHEMBL8180347

SCHEMBL8180347

CCc1cc2c(NCc3ccc(F)cc3)nc(N3CCC(C(=O)O)CC3)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
CTNNB1 P35222 17/20 0.48
TCF7L2 Q9NQB0 17/20 0.48

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
SCHEMBL8181130 0.92 ICAM1 (0.51) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL8185631 0.91 CTNNB1 (0.49) HRH4CTNNB1TCF7L2
SCHEMBL7021735 0.90 HRH4 (0.47) HRH4CTNNB1TCF7L2
SCHEMBL8179499 0.89 CTNNB1 (0.50) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL8182511 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL8182359 0.88 CTNNB1 (0.53) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL8186066 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL8181016 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL8185751 0.86 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL8183463 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed