SCHEMBL7316701

SCHEMBL7316701

CC(C)(C)C.CCCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.51
PRSS1 P07477 7/20 0.51
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL7309269 0.84 F2 (0.59) F2PRSS1PRSS2PRSS3
SCHEMBL7316652 0.79 F2 (0.51) F2PRSS1PRSS2PRSS3ELANE
SCHEMBL7315509 0.74 F2 (0.49) F2PRSS1PRSS2PRSS3
SCHEMBL7334148 0.74 F2 (0.58) F2PRSS1PRSS2PRSS3
SCHEMBL6282644 0.71 F2 (0.55) F2PRSS1PRSS2PRSS3
SCHEMBL7321593 0.70 KDM4E (0.31)
SCHEMBL8842027 0.69 F2 (0.55) F2PRSS1PRSS2PRSS3
SCHEMBL4432108 0.68 F2 (0.77) F2PRSS1PRSS2PRSS3
SCHEMBL7341001 0.67 F2 (0.56) F2PRSS1PRSS2PRSS3
SCHEMBL4421701 0.67 F2 (0.73) F2PRSS1PRSS2PRSS3

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
US-5932606-A Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors MERCK & CO., INC. (US) 1999-08-03 US disclosed
US-5744486-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1998-04-28 US disclosed
US-5668289-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1997001338-A1 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-01-16 WO disclosed