SCHEMBL10573113

SCHEMBL10573113

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)C(Br)(C(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.51
CTSL P07711 2/20 0.48
SIRT5 Q9NXA8 2/20 0.48
CTSS P25774 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
SIRT1 Q96EB6 7/20 0.48
FOLH1 Q04609 2/20 0.47
SIRT3 Q9NTG7 4/20 0.47
TPSAB1 Q15661 1/20 0.47

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
SCHEMBL10570872 0.90 SIRT2 (0.50) SIRT2CTSLSIRT5CTSSITGB3
SCHEMBL9500591 0.89 SIRT2 (0.54) SIRT2CTSLSIRT5CTSSITGB3
SCHEMBL5145708 0.89 FOLH1 (0.59) SIRT2CTSLSIRT5CTSSITGB3
SCHEMBL631840 0.89 FOLH1 (0.59) SIRT2CTSLSIRT5CTSSITGB3
SCHEMBL6768020 0.89 FOLH1 (0.59) SIRT2CTSLSIRT5CTSSITGB3
Water SCHEMBL7274005 0.88 FOLH1 (0.58) SIRT2CTSLSIRT5CTSSITGB3
Hydrochloric Acid SCHEMBL29401494 0.88 FOLH1 (0.58) SIRT2CTSLSIRT5CTSSITGB3
Hydrochloric Acid SCHEMBL333889 0.88 FOLH1 (0.58) SIRT2CTSLSIRT5CTSSITGB3
Hydrochloric Acid SCHEMBL333888 0.88 FOLH1 (0.58) SIRT2CTSLSIRT5CTSSITGB3
Bromide SCHEMBL9221277 0.88 FOLH1 (0.58) SIRT2CTSLSIRT5CTSSITGB3

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-4870207-A Synthesis of arphamenine A Zaiden Hojin Biseibutsu Kagaku Kenkyu Kai (JP) 1989-09-26 US disclosed
EP-0129163-B1 ARPHAMENINE AND ITS RELATED COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-09-16 EP disclosed
EP-0129163-A1 Arphamenine and its related compounds, a process for their preparation and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1984-12-27 EP disclosed