SCHEMBL9688511

SCHEMBL9688511

CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GART P22102 19/20 0.67
ATIC P31939 2/20 0.67
DHFR P00374 1/20 0.54

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
SCHEMBL9689146 0.96 GART (0.63) GARTATICDHFR
SCHEMBL9688755 0.94 GART (0.76) GARTATICDHFR
SCHEMBL9689132 0.90 GART (0.71) GARTATICDHFR
SCHEMBL9689166 0.88 GART (0.65) GARTATICDHFR
SCHEMBL9688385 0.84 GART (0.70) GARTATIC
SCHEMBL9687649 0.82 GART (0.66) GARTATIC
SCHEMBL9689397 0.82 GART (0.73) GARTATICDHFR
SCHEMBL5673952 0.80 GART (0.82) GARTATIC
Dideazaacyclotetrahydrofolic Acid SCHEMBL14469101 0.80 GART (1.00) GARTATIC
SCHEMBL5491752 0.80 GART (0.82) GARTATIC

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-0268377-B1 GLUTAMIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-18 EP claimed