SCHEMBL7743074

SCHEMBL7743074

NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.60
F2 P00734 4/20 0.60
PLAU P00749 3/20 0.57
PLG P00747 4/20 0.57
ST14 Q9Y5Y6 2/20 0.57
HPN P05981 1/20 0.57
HGFAC Q04756 1/20 0.57

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
SCHEMBL8654566 0.93 F2 (0.59) F10F2PLAUPLGST14
SCHEMBL8654561 0.93 F2 (0.59) F10F2PLAUPLGST14
SCHEMBL9074163 0.90 F2 (0.65) F10F2
SCHEMBL9710642 0.88 F2 (0.69) F10F2PLAUPLGST14
SCHEMBL8955035 0.87 F2 (0.62) F10F2PLAUPLGST14
SCHEMBL8954841 0.87 F10 (0.59) F10F2PLAUPLGST14
SCHEMBL7350464 0.86 F2 (0.59) F10F2PLAUPLGST14
SCHEMBL6971395 0.86 F2 (0.59) F10F2PLAUPLGST14
SCHEMBL9710394 0.86 F2 (0.68) F10F2PLAUPLGST14
SCHEMBL8954726 0.86 F10 (0.75) F10F2PLAUPLGST14

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-0820453-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2001-08-29 EP disclosed
EP-0820453-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1998-01-28 EP disclosed