SCHEMBL8305845

SCHEMBL8305845

CCCCC1=N[N+](C)(c2ccc(-c3ccccc3C=O)cc2)C(CCCC)=N1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
GP6 Q9HCN6 1/20 0.32
BRS3 P32247 4/20 0.31
AGTR1 P30556 1/20 0.30

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
SCHEMBL8306226 0.80
SCHEMBL8302096 0.76 BRS3 (0.32) BRS3
SCHEMBL8521808 0.75 BRS3 (0.32) BRS3
SCHEMBL9652691 0.72 HSD11B1 (0.45) XDHGP6BRS3
SCHEMBL8303502 0.72
SCHEMBL8521755 0.69
SCHEMBL8299425 0.68
SCHEMBL8300519 0.68
SCHEMBL11345633 0.68 RARB (0.48)
SCHEMBL6284038 0.66 XDH (0.45) XDHAGTR1

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
EP-0936221-A1 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEMICAL COMPANY LTD. (JP) 1999-08-18 EP disclosed