SCHEMBL7213898

SCHEMBL7213898

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.39
F2 P00734 3/20 0.39
PLG P00747 3/20 0.39
PROC P04070 2/20 0.39
PRSS1 P07477 2/20 0.39
P2RX7 Q99572 6/20 0.38
PLAT P00750 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
MEN1 O00255 1/20 0.35
HTR3B O95264 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR3A P46098 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
Hydrochloric Acid SCHEMBL7213582 0.99 F10 (0.38) F10F2PLGPROCPRSS1
Hydrochloric Acid SCHEMBL7213579 0.99 F10 (0.38) F10F2PLGPROCPRSS1
SCHEMBL7219258 0.86 P2RX7 (0.37) F10F2PLGPROCPRSS1
SCHEMBL7213893 0.84 P2RX7 (0.40) F10F2PLGPROCPRSS1
SCHEMBL7220633 0.82 F10 (0.42) F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL7214007 0.81 F2 (0.38) F10F2DPP4
SCHEMBL7219167 0.77 F10 (0.48) F10F2PLGPROCPRSS1
SCHEMBL7213626 0.76 F10 (0.49) F10F2PLGPROCPRSS1
Hydrochloric Acid SCHEMBL7214321 0.76 F10 (0.48) F10F2PLGPROCPRSS1
Hydrochloric Acid SCHEMBL7214326 0.76 F10 (0.48) 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 5 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
CN-1244798-A Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds RHONE POULENC RORER PHARMA (US) 2000-02-16 CN disclosed