SCHEMBL6028074

SCHEMBL6028074

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.34
GPR6 P46095 1/20 0.32
ENPP2 Q13822 1/20 0.32
GID4 Q8IVV7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL6028386 0.87 F10 (0.35) SLC1A2
SCHEMBL6028353 0.86 P2RX7 (0.33) ENPP2
SCHEMBL6028345 0.82 NAMPT (0.33) FNTAFNTB
SCHEMBL6028373 0.81 F10 (0.36) SLC1A2
SCHEMBL6028546 0.80 F10 (0.33) ENPP2
Acetic Acid SCHEMBL6029622 0.79 F10 (0.35) SLC1A2
SCHEMBL6078168 0.78 SLC1A2 (0.35) SLC1A2GPR6ENPP2TDP1
SCHEMBL6078161 0.78 SLC1A2 (0.35) SLC1A2GPR6ENPP2TDP1
SCHEMBL6029784 0.76 SLC1A2 (0.37) SLC1A2GPR6FNTAFNTB
SCHEMBL6029778 0.76 SLC1A2 (0.37) SLC1A2GPR6FNTAFNTB

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