SCHEMBL9745347

SCHEMBL9745347

CCC(=O)C(N)CCC(N)C(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.38
SLC1A2 P43004 5/20 0.38
SLC1A1 P43005 5/20 0.38
SLC1A3 P43003 4/20 0.38
GRIK1 P39086 4/20 0.38
GRIK2 Q13002 3/20 0.38
GRIA4 P48058 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK5 Q16478 2/20 0.37
DDAH1 O94760 1/20 0.36
NOS1 P29475 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35

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
SCHEMBL14886259 0.89
SCHEMBL12503209 0.89
SCHEMBL22203880 0.89
SCHEMBL10126105 0.87
SCHEMBL10031747 0.87
SCHEMBL12681405 0.87
SCHEMBL13363499 0.87
SCHEMBL18456741 0.85 METAP1 (0.55) METAP1SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL26175812 0.85 METAP1 (0.55) METAP1SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL27494202 0.85

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110191876-A FORMULATIONS FOR ADMINISTRATION OF EFLORNITHINE 奥巴斯治疗股份有限公司 2019-08-30 CN disclosed
US-5171754-A Use of oxidized polyamines, especially NN'-bis-(3-propionaldehyde)-1-4-diaminobutane (spermine dialdehyde) as immunosuppressive agents ORTHO PHARMACEUTICAL CORPORATION (US) 1992-12-15 US disclosed