SCHEMBL8360799

SCHEMBL8360799

CC(C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(-c3noc(C(Cl)(Cl)Cl)n3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.64
F3 P13726 9/20 0.48
PRSS1 P07477 1/20 0.48
F2 P00734 5/20 0.44

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
SCHEMBL8361878 0.93 F7 (0.57) F7F3PRSS1F2
SCHEMBL8363570 0.93 F7 (0.64) F7F3PRSS1F2
SCHEMBL8360103 0.89 F7 (0.60) F7F3PRSS1F2
SCHEMBL8360327 0.87 F7 (0.60) F7F3PRSS1F2
SCHEMBL8363200 0.86 F7 (0.70) F7F3PRSS1F2
SCHEMBL8363355 0.84 F7 (0.62) F7F3PRSS1F2
SCHEMBL8362091 0.84 F7 (0.66) F7F3PRSS1F2
SCHEMBL8360167 0.83 F7 (0.64) F7F3PRSS1F2
SCHEMBL6792785 0.83 F7 (0.60) F7F3PRSS1F2
SCHEMBL8362597 0.82 F7 (0.71) 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