SCHEMBL7220052

SCHEMBL7220052

N[C@H]1CCN(Cc2ccc3ccnc(Oc4ccccc4)c3c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.43
F2 P00734 2/20 0.43
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 1/20 0.35
KCNH2 Q12809 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
PLG P00747 1/20 0.35
PROC P04070 1/20 0.35
AADAT Q8N5Z0 1/20 0.33

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
SCHEMBL7457063 1.00 F10 (0.43) F10F2ROCK1ROCK2KCNH2
SCHEMBL7215882 0.87 F10 (0.41) F10F2PLGPROC
SCHEMBL7220050 0.87 F10 (0.41) F10F2PLGPROC
SCHEMBL7457059 0.87 F10 (0.41) F10F2PLGPROC
SCHEMBL23752547 0.81 F10 (0.54) F10F2ROCK1ROCK2KCNH2
SCHEMBL6222406 0.81 F10 (0.54) F10F2ROCK1ROCK2KCNH2
Hydrochloric Acid SCHEMBL7220054 0.80 F10 (0.54) F10F2ROCK1ROCK2KCNH2
SCHEMBL7448520 0.80 F10 (0.43) F10F2
SCHEMBL7415794 0.80 F10 (0.43) F10F2PLGPROC
SCHEMBL6221086 0.80 F10 (0.43) F10F2PLGPROC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed