SCHEMBL8178906

SCHEMBL8178906

CCc1cc2c(NCc3ccc(OC)c(Cl)c3)nc(N3CCC(C(=O)O)CC3)nc2s1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.54
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL8185751 0.93 PDE4A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8183512 0.92 PDE5A (0.47) PDE5A
SCHEMBL8183217 0.91 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8182511 0.91 PDE4A (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7016377 0.91 PDE5A (0.47) PDE5A
SCHEMBL8184555 0.91 PDE5A (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8187926 0.89 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7016974 0.87 PDE5A (0.46) PDE5A
SCHEMBL8179549 0.87 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8178467 0.86 PDE5A (0.46) PDE5A

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