SCHEMBL8360141

SCHEMBL8360141

CC(C)Nc1ncc(-c2cc(N)cc(C(F)(F)F)c2)n(CC(=O)NCc2ccc3c(N)noc3c2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.59
F3 P13726 6/20 0.43
PRSS1 P07477 1/20 0.41
F2 P00734 3/20 0.40
KLKB1 P03952 1/20 0.39
MAP4K1 Q92918 1/20 0.39
MASP2 O00187 1/20 0.39

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
SCHEMBL8363406 0.92 F7 (0.56) F7F3PRSS1F2MASP2
SCHEMBL8360281 0.90 F7 (0.58) F7F3PRSS1F2MASP2
SCHEMBL6795150 0.90 F7 (0.55) F7F3PRSS1F2
SCHEMBL8360164 0.88 F7 (0.51) F7F3PRSS1F2
SCHEMBL8360131 0.86 F7 (0.52) F7F3PRSS1F2
SCHEMBL8363355 0.84 F7 (0.62) F7F3PRSS1F2
SCHEMBL8363156 0.84 F7 (0.60) F7F3PRSS1F2
SCHEMBL8360233 0.84 F7 (0.60) F7F3PRSS1F2
SCHEMBL6792942 0.84 F7 (0.68) F7F3PRSS1F2
SCHEMBL8363138 0.84 F7 (0.68) F7F3PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed