SCHEMBL7216462

SCHEMBL7216462

CCc1ncccc1Nc1ncc(C)n(CC(=O)O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.45
PRSS1 P07477 6/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ALOX15 P16050 1/20 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
SCHEMBL7220914 0.88 MEN1 (0.48) F2PRSS1PRSS2PRSS3
SCHEMBL3238629 0.85 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7214888 0.76 F2 (0.67) F2PRSS1PRSS2PRSS3
SCHEMBL7220542 0.74 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7139240 0.73 F2 (0.44) F2PRSS1PRSS2PRSS3
SCHEMBL7159962 0.71 F2 (0.70) F2PRSS1
SCHEMBL7809549 0.71 F2 (0.45) F2PRSS1
SCHEMBL3238624 0.70 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL7411110 0.69 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7452376 0.69 MEN1 (0.38)

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-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed