SCHEMBL8185408

SCHEMBL8185408

COc1ccc(CNc2nc(N3CCC(C(=O)O)CC3)nc3scc(C)c23)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.52
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL8183548 0.93 PDE4A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8169967 0.92 PDE5A (0.47) PDE5A
SCHEMBL8171364 0.91 PDE4A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7015450 0.91 PDE5A (0.48) PDE5A
SCHEMBL8170609 0.87 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8181196 0.87 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7018914 0.87 PDE5A (0.46) PDE5A
SCHEMBL8184351 0.85 PDE5A (0.45) PDE5A
SCHEMBL8177973 0.85 PDE5A (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8184555 0.85 PDE5A (0.55) PDE5APDE4APDE4BPDE4CPDE4D

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