SCHEMBL7219442

SCHEMBL7219442

NC(=O)[C@@H]1CCN(Cc2ccc3ccc(O)nc3c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.39
SIRT2 Q8IXJ6 1/20 0.35
GRM2 Q14416 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
SCHEMBL7219137 0.92 F10 (0.40) F10SIRT2
SCHEMBL7214111 0.87 F10 (0.50) F10SIRT2
SCHEMBL7921921 0.84 F10 (0.39) F10
SCHEMBL7219444 0.82 F10 (0.38) F10
Trifluoroacetic Acid SCHEMBL7214098 0.82 F10 (0.45) F10GRM2
SCHEMBL7213993 0.81 F10 (0.50) F10SIRT2
SCHEMBL7213622 0.80 F10 (0.51) F10
SCHEMBL7454004 0.79 F10 (0.43) F10
SCHEMBL7213556 0.79 F10 (0.42) F10
SCHEMBL7448512 0.79 F10 (0.42) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US claimed
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed