SCHEMBL6028386

SCHEMBL6028386

CCOC(C(=O)NCc1ccc(C(=N)N)cc1NCc1ccccc1F)N1C=C2C=CC(=O)C(C)=C2C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.35
SLC1A2 P43004 1/20 0.34
KLKB1 P03952 3/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 1/20 0.32
MAPT P10636 2/20 0.30
THRB P10828 1/20 0.30
F7 P08709 1/20 0.30

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
SCHEMBL6028373 0.94 F10 (0.36) F10SLC1A2KLKB1F2PRSS1
Acetic Acid SCHEMBL6029622 0.92 F10 (0.35) F10SLC1A2KLKB1F2PRSS1
SCHEMBL6028074 0.87 SLC1A2 (0.34) SLC1A2
SCHEMBL6029054 0.85 F10 (0.35) F10
Acetic Acid SCHEMBL6028580 0.83 F10 (0.34) F10
SCHEMBL6028367 0.81 ST14 (0.39) F10KLKB1F2PRSS1F7
Acetic Acid SCHEMBL6027976 0.80 F10 (0.43) F10F2PRSS1F7
SCHEMBL6030930 0.78 F10 (0.36) F10SLC1A2KLKB1F2PRSS1
SCHEMBL6079048 0.78 F10 (0.36) F10SLC1A2KLKB1F2PRSS1
SCHEMBL6077844 0.78 F10 (0.37) F10SLC1A2KLKB1F2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed