SCHEMBL6029267

SCHEMBL6029267

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)N1C=C2C=C(C)CC(=O)C2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.38
F2 P00734 17/20 0.38
TPSAB1 Q15661 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
MASP2 O00187 1/20 0.36
F10 P00742 3/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F7 P08709 1/20 0.35

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
Acetic Acid SCHEMBL6028236 0.98 F2 (0.39) ST14F2TPSAB1PRSS1PRSS2
SCHEMBL6031646 0.82 ST14 (0.39) ST14F2TPSAB1PRSS1PRSS2
SCHEMBL6028195 0.81 ST14 (0.38) ST14F2TPSAB1PRSS1PRSS2
Acetic Acid SCHEMBL6028032 0.80 F2 (0.39) ST14F2TPSAB1PRSS1PRSS2
SCHEMBL6028254 0.77 F10 (0.33) F2F10F7
SCHEMBL6028856 0.76 TLR4 (0.32)
SCHEMBL6028367 0.74 ST14 (0.39) ST14F2PRSS1MASP2F10
SCHEMBL6028862 0.73 F10 (0.35) F2PRSS1F10F7
SCHEMBL6028739 0.73 ST14 (0.38) ST14F2TPSAB1PRSS1PRSS2
SCHEMBL6028321 0.72 ST14 (0.39) ST14F2TPSAB1PRSS1PRSS2

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