N-(Ethoxycarbonyl)Piperazine

N-(Ethoxycarbonyl)Piperazine

SCHEMBL2875579

CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(NO)c2)C(=O)O)c(C(C)C)c1.CCOC(=O)N1CCNCC1.O=S(=O)(O)O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of N-(Ethoxycarbonyl)Piperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 19/20 0.61
PLAT P00750 4/20 0.61
PLG P00747 15/20 0.58
F10 P00742 8/20 0.58
F2 P00734 7/20 0.58
ST14 Q9Y5Y6 7/20 0.58
HPN P05981 3/20 0.58
KLKB1 P03952 1/20 0.58
TPSG1 Q9NRR2 1/20 0.58
HGFAC Q04756 2/20 0.51

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
N-(Ethoxycarbonyl)Piperazine SCHEMBL2880394 0.98 PLAU (0.63) PLAUPLATPLGF10F2
N-(Ethoxycarbonyl)Piperazine SCHEMBL2875164 0.88 PLAU (0.65) PLAUPLATPLGF10F2
N-(Ethoxycarbonyl)Piperazine SCHEMBL1809303 0.87 PLAU (0.67) PLAUPLATPLGF10F2
N-(Ethoxycarbonyl)Piperazine SCHEMBL2874625 0.86 PLAU (0.80) PLAUPLATPLGF10F2
N-(Ethoxycarbonyl)Piperazine SCHEMBL4606324 0.85 PLAU (0.80) PLAUPLATPLGF10F2
N-(Ethoxycarbonyl)Piperazine SCHEMBL3258134 0.82 PLAU (0.51) PLAUPLATPLGF10F2
N-(Ethoxycarbonyl)Piperazine SCHEMBL3257068 0.80 PLAU (0.52) PLAUPLATPLGF10F2
N-(Ethoxycarbonyl)Piperazine SCHEMBL3660147 0.79 PLAU (0.58) PLAUPLATPLGF10F2
N-(Ethoxycarbonyl)Piperazine SCHEMBL3664173 0.78 PLAU (0.54) PLAUPLATPLGF10F2
SCHEMBL13727903 0.78 PLAU (0.84) PLAUPLATPLGF10F2

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
US-7713980-B2 Crystalline modifications of N-α-(2,4,6-triisopropyl-phenylsulfonyl)-3-hydroxyamidino-(L)- phenylalanine 4-ethoxycarbonylpiperazide and/or salts thereof WILEX AG (DE) 2010-05-11 US claimed