SCHEMBL8360222

SCHEMBL8360222

CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(N[C@@H](C)CC)c(=O)n2CC(=O)NCc2ccc(/C(N)=N/C(=O)OCc3ccccc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.69
F3 P13726 9/20 0.45
F2 P00734 5/20 0.45
PRSS1 P07477 1/20 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
SCHEMBL8362105 0.97 F7 (0.74) F7F3F2PRSS1
SCHEMBL8360220 0.96 F7 (0.66) F7F3F2PRSS1
SCHEMBL8363161 0.94 F7 (0.64) F7F3F2PRSS1
SCHEMBL8360266 0.93 F7 (0.63) F7F3F2PRSS1
SCHEMBL8360232 0.93 F7 (0.63) F7F3F2PRSS1
SCHEMBL8360104 0.92 F7 (0.66) F7F3F2PRSS1
SCHEMBL8363565 0.92 F7 (0.61) F7F3F2PRSS1
SCHEMBL8362336 0.92 F7 (0.61) F7F3F2PRSS1
SCHEMBL8362118 0.91 F7 (0.62) F7F3F2PRSS1
SCHEMBL8360333 0.91 F7 (0.62) F7F3F2PRSS1

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