SCHEMBL7411110

SCHEMBL7411110

CCCCCNc1ncc(C)n(CC(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.47
PRSS1 P07477 7/20 0.45
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43

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
SCHEMBL8188271 0.78 F2 (0.50) F2PRSS1PRSS2PRSS3
SCHEMBL7459174 0.76 LMNA (0.48) F2PRSS1
SCHEMBL7809549 0.76 F2 (0.45) F2PRSS1
SCHEMBL3239431 0.74 F2 (0.67) F2PRSS1PRSS2PRSS3
SCHEMBL7025245 0.72 F2 (0.55) F2PRSS1PRSS2PRSS3
SCHEMBL3238629 0.72 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7452530 0.71 LMNA (0.42) F2PRSS1PRSS2PRSS3
SCHEMBL7819546 0.71 F2 (0.41) F2
SCHEMBL5474694 0.71 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL7451716 0.70 LMNA (0.41) 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
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 WO disclosed