SCHEMBL7023692

SCHEMBL7023692

COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.56
F2 P00734 4/20 0.52
PLAU P00749 3/20 0.51
PLG P00747 2/20 0.51
ST14 Q9Y5Y6 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
SCHEMBL9710484 0.91 F2 (0.54) F10F2PLAUPLGST14
SCHEMBL8770799 0.85 F10 (0.55) F10F2ST14
SCHEMBL9710394 0.80 F2 (0.68) F10F2PLAUPLGST14
SCHEMBL8654566 0.80 F2 (0.59) F10F2PLAUPLGST14
SCHEMBL8654561 0.80 F2 (0.59) F10F2PLAUPLGST14
SCHEMBL7983901 0.79 F2 (0.55) F2
SCHEMBL8954702 0.79 F10 (0.56) F10F2PLAUPLG
SCHEMBL7300647 0.78 MMP2 (0.61) F2
SCHEMBL9710605 0.78 MMP2 (0.61) F2
SCHEMBL7743074 0.78 F10 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739886-B1 Selective thrombin inhibitors LG CHEMICAL LTD (KR) 2003-10-01 EP disclosed
US-5985899-A ANTICOAGULANTS LG CHEMICAL LTD. (KR) 1999-11-16 US disclosed
US-5977114-A Selective thrombin inhibitors LG CHEMICAL LTD. (KR) 1999-11-02 US disclosed
EP-0739886-A2 Selective thrombin inhibitors LG Chemical Limited (KR) 1996-10-30 EP disclosed