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SCHEMBL20398902

SCHEMBL20398902

CC/C=C\CCCCCCCCCCCC(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 2/20 0.55
▸ EPHX2 P34913 7/20 0.53
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FOLH1 Q04609 3/20 0.46
▸ NOD1 Q9Y239 2/20 0.44
▸ GLP1R P43220 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL20398903 1.00 SLC6A5 (0.55) SLC6A5EPHX2MEN1GAAKMT2A
SCHEMBL20398922 0.94 SLC6A5 (0.64) SLC6A5EPHX2NOD1GLP1R
SCHEMBL19809682 0.94 SLC6A5 (0.64) SLC6A5EPHX2NOD1GLP1R
SCHEMBL20398914 0.94 SLC6A5 (0.61) SLC6A5EPHX2MEN1GAAKMT2A
SCHEMBL20398932 0.94 SLC6A5 (0.64) SLC6A5EPHX2NOD1GLP1R
SCHEMBL20398912 0.94 SLC6A5 (0.61) SLC6A5EPHX2MEN1GAAKMT2A
SCHEMBL20398934 0.91 SLC6A5 (0.62) SLC6A5EPHX2MEN1GAAKMT2A
SCHEMBL31601080 0.89 MEN1 (0.57) EPHX2MEN1GAAKMT2AFOLH1
SCHEMBL29187400 0.87 NOD1 (0.60) SLC6A5EPHX2MEN1GAAKMT2A
SCHEMBL25542921 0.87 NOD1 (0.60) SLC6A5EPHX2MEN1GAAKMT2A

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
WO-2018132876-A1 NOVEL GLYCINE TRANSPORT INHIBITORS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF SYDNEY (AU) 2018-07-26 — — WO disclosed