SCHEMBL6992707

SCHEMBL6992707

O=C(O)Cc1nc(NCCc2ccccc2)c(=O)n(Cl)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.50
F3 P13726 13/20 0.50
F2 P00734 13/20 0.50
PRSS1 P07477 1/20 0.50
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
APP P05067 1/20 0.43
PDE5A O76074 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PLAU P00749 1/20 0.42

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
SCHEMBL6996885 0.84 ALDH1A1 (0.38) F7F3F2PRSS1PLAU
SCHEMBL7456064 0.79 BRD4 (0.46) F7F3F2BCHE
SCHEMBL5848054 0.75 F7 (0.67) F7F3F2PRSS1
SCHEMBL5847230 0.74 APP (0.45) ACHEBCHEAPPPDE5APTGDR2
SCHEMBL7223343 0.70 MAPT (0.45) F7F3F2APPPTGDR2
SCHEMBL7453183 0.70 F7 (0.51) F7F3F2PRSS1
SCHEMBL3242830 0.67 F2 (0.66) F7F3F2PRSS1
SCHEMBL3261238 0.66 F7 (0.49) F7F3F2
SCHEMBL23461145 0.65 F2 (0.65) F7F3F2PRSS1
SCHEMBL6989545 0.63 GPR84 (0.41) APP

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-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed