SCHEMBL6990052

SCHEMBL6990052

O=CC(OCc1ccccc1)n1c(-c2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.45
F3 P13726 17/20 0.45
F2 P00734 16/20 0.45
PRSS1 P07477 2/20 0.45
F10 P00742 1/20 0.40
APP P05067 1/20 0.38

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
SCHEMBL6989591 0.84 ALDH1A1 (0.34) F7F3F2
SCHEMBL7453183 0.77 F7 (0.51) F7F3F2PRSS1F10
SCHEMBL6991902 0.72 CFTR (0.46) F7F3F2
SCHEMBL5848054 0.72 F7 (0.67) F7F3F2PRSS1F10
SCHEMBL8186103 0.70 MAPK14 (0.36)
SCHEMBL3247707 0.66 F2 (0.60) F7F3F2PRSS1
SCHEMBL3242830 0.64 F2 (0.66) F7F3F2PRSS1
SCHEMBL5885589 0.64 F2 (0.59) F7F3F2PRSS1
SCHEMBL6992707 0.63 F7 (0.50) F7F3F2PRSS1APP
SCHEMBL7878603 0.63 F2 (0.48) F7F3F2PRSS1APP

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