SCHEMBL7901281

SCHEMBL7901281

CCCCCC1OC1c1cccc2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCOCC4)ccc3OCCC)nc12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.57
PDE6C P51160 1/20 0.49
PDE11A Q9HCR9 1/20 0.49

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
SCHEMBL7904959 0.84 PDE5A (0.69) PDE5APDE6CPDE11A
SCHEMBL7904851 0.82 PDE5A (0.58) PDE5APDE6CPDE11A
SCHEMBL7904974 0.81 PDE5A (0.56) PDE5APDE6CPDE11A
SCHEMBL7904848 0.81 PDE5A (0.51) PDE5APDE6CPDE11A
SCHEMBL7902715 0.78 PDE5A (0.59) PDE5APDE6CPDE11A
SCHEMBL7899630 0.77 PDE5A (0.58) PDE5APDE6C
SCHEMBL7901187 0.76 PDE5A (0.55) PDE5APDE6CPDE11A
SCHEMBL7902714 0.76 PDE5A (0.55) PDE5APDE6CPDE11A
SCHEMBL8471415 0.75 PDE5A (0.62) PDE5APDE6CPDE11A
SCHEMBL3840535 0.74 PDE5A (0.68) PDE5APDE6CPDE11A

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
US-6187779-B1 ADMINISTERING ANTITUMOR AGENTS TO TREAT COLON CANCER CELL PATHWAYS, INC. 2001-02-13 US disclosed
US-5721238-A ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-24 US disclosed
EP-0722937-A1 2,8-Disubstituted quinazolinone BAYER AG (DE) 1996-07-24 EP disclosed