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SCHEMBL6960484

SCHEMBL6960484

Cc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 20/20 1.00
▸ PRSS1 P07477 4/20 1.00
▸ PRSS2 P07478 1/20 0.69
▸ PRSS3 P35030 1/20 0.69

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
Dpoc-4088 SCHEMBL12636557 0.89 F2 (1.00) F2PRSS1PRSS2PRSS3
Dpoc-4088 SCHEMBL29456568 0.89 F2 (1.00) F2PRSS1PRSS2PRSS3
SCHEMBL7372708 0.86 F2 (0.80) F2PRSS1
SCHEMBL7445979 0.85 F2 (0.84) F2PRSS1
SCHEMBL23752474 0.85 F2 (0.75) F2PRSS1
SCHEMBL7448367 0.84 F2 (0.83) F2PRSS1
SCHEMBL21067957 0.82 F2 (0.76) F2PRSS1
SCHEMBL7455837 0.82 F2 (0.80) F2PRSS1
SCHEMBL7444002 0.82 F2 (0.80) F2PRSS1
SCHEMBL7452924 0.82 F2 (0.83) F2PRSS1

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-1189899-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2003-02-12 — — EP disclosed
US-6455532-B1 ANTICOAGULANTS MERCK & CO., INC. 2002-09-24 — — US disclosed
EP-1189899-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-03-27 — — EP disclosed
WO-2000075134-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-12-14 — — WO disclosed