SCHEMBL7220633

SCHEMBL7220633

CN[C@H]1CCN(Cc2cccc3nc(Cl)ccc23)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.42
F2 P00734 4/20 0.41
PLG P00747 3/20 0.41
PROC P04070 2/20 0.41
PRSS1 P07477 2/20 0.41
PLAT P00750 1/20 0.40
P2RX7 Q99572 4/20 0.39
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
PGGT1B P53609 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HCRTR2 O43614 1/20 0.33
KCNH2 Q12809 2/20 0.33
GRM2 Q14416 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
SCHEMBL7452883 0.86 HDAC1 (0.36) F10F2PLGPROCPRSS1
SCHEMBL7214087 0.83 ACACB (0.42) F10F2PLGPROCPRSS1
SCHEMBL7213898 0.82 F10 (0.39) F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL7214094 0.81 F10 (0.40) F10F2PLGPROCPRSS1
Hydrochloric Acid SCHEMBL7213579 0.81 F10 (0.38) F10F2PLGPROCPRSS1
Hydrochloric Acid SCHEMBL7213582 0.81 F10 (0.38) F10F2PLGPROCPRSS1
SCHEMBL7219258 0.81 P2RX7 (0.37) F10F2PLGPROCPRSS1
SCHEMBL7213893 0.79 P2RX7 (0.40) F10F2PLGPROCPRSS1
SCHEMBL7214115 0.78 F10 (0.53) F10F2PLGPROCPRSS1
SCHEMBL7215834 0.77 F10 (0.54) F10F2PLGPROCPRSS1

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 4 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
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
WO-2001039759-A2 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-07 WO disclosed