SCHEMBL8360891

SCHEMBL8360891

CC[C@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(/C(N)=N/O)c(O)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.75
F3 P13726 8/20 0.46
PRSS1 P07477 2/20 0.46
F2 P00734 3/20 0.42
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL6790370 1.00 F7 (0.75) F7F3PRSS1F2PRSS2
SCHEMBL8363151 1.00 F7 (0.75) F7F3PRSS1F2PRSS2
SCHEMBL6790365 1.00 F7 (0.75) F7F3PRSS1F2PRSS2
SCHEMBL6794035 0.92 F7 (0.83) F7F3PRSS1F2PRSS2
SCHEMBL8360330 0.92 F7 (0.83) F7F3PRSS1F2PRSS2
SCHEMBL8360237 0.89 F7 (0.67) F7F3PRSS1F2
SCHEMBL8363619 0.88 F7 (0.65) F7F3PRSS1F2PRSS2
SCHEMBL8360846 0.85 F7 (0.74) F7F3PRSS1F2
SCHEMBL8360212 0.85 F7 (0.74) F7F3PRSS1F2
SCHEMBL6791329 0.85 F7 (0.65) 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