SCHEMBL7585899

SCHEMBL7585899

N=C(N)c1cc(C[C@H](N)C(=O)O)ccc1C(S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 12/20 0.43
▸ F10 P00742 7/20 0.43
▸ PLAU P00749 5/20 0.43
▸ ST14 Q9Y5Y6 4/20 0.43
▸ F2 P00734 2/20 0.43
▸ PKM P14618 1/20 0.41
▸ F12 P00748 2/20 0.39
▸ KLKB1 P03952 2/20 0.39
▸ PROC P04070 2/20 0.39
▸ HPN P05981 3/20 0.38
▸ HGFAC Q04756 2/20 0.38

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
Hydrochloric Acid SCHEMBL7584788 0.99 PLG (0.43) PLGF10PLAUST14F2
SCHEMBL7589186 0.85 PKM (0.41) PLGF10PLAUST14F2
SCHEMBL7058121 0.75 PLG (0.43) PLGF10PLAUST14F2
SCHEMBL29584308 0.66 SLC7A5 (0.65) PKM
SCHEMBL93303 0.66 SLC7A5 (0.65) PKM
SCHEMBL93304 0.66 SLC7A5 (0.65) PKM
SCHEMBL29554654 0.66 SLC7A5 (0.65) PKM
SCHEMBL837890 0.66 SLC7A5 (0.65) PKM
SCHEMBL29401985 0.66 SLC7A5 (0.65) PKM
SCHEMBL29375097 0.66 SLC7A5 (0.65) PKM

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
EP-0635008-B1 PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS PENTAPHARM AG (CH) 2002-09-04 — — EP disclosed
US-5607937-A Piperazides of substituted phenylalanine derivatives as thrombin inhibitors PENTAPHARM AG (CH) 1997-03-04 — — US disclosed
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