SCHEMBL27348797

SCHEMBL27348797

NC(=NN1CCN(N)CC1)NCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
BBOX1 O75936 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32

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
SCHEMBL27679913 0.86 EGLN1 (0.36) CTHEGLN1BBOX1ASPHKDM8
SCHEMBL27736927 0.86 EGLN1 (0.36) CTHEGLN1BBOX1ASPHKDM8
SCHEMBL27478419 0.85 CTH (0.36) CTHEGLN1BBOX1ASPHKDM8
Hydrochloric Acid SCHEMBL27770067 0.84 EGLN1 (0.36) CTHEGLN1BBOX1ASPHKDM8
SCHEMBL27716096 0.84 EGLN1 (0.39) CTHEGLN1BBOX1ASPHKDM8
SCHEMBL27499254 0.84 EGLN1 (0.39) CTHEGLN1BBOX1ASPHKDM8
SCHEMBL27736929 0.81 KDM4E (0.38) CTHEGLN1ITGB3ITGA2B
SCHEMBL27352631 0.81 CTH (0.32) CTHEGLN1BBOX1ASPHKDM8
SCHEMBL28875181 0.81 ALOX15 (0.39) CTHITGB3ITGA2B
Hydrochloric Acid SCHEMBL27366007 0.80 CTH (0.32) CTHEGLN1BBOX1ASPHKDM8

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
CN-1056141-C Piperazine derivatives MERCK PATENT GESELLSCHAFTR MIT (DE) 2000-09-06 CN disclosed