SCHEMBL8360238

SCHEMBL8360238

N/C(=N\C(=O)OCc1ccccc1)c1ccc(CNC(=O)Cn2c(-c3cc(N)cc(O)c3)cnc(NC3CC3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.49
F2 P00734 12/20 0.47
F3 P13726 12/20 0.47
F10 P00742 1/20 0.45
PRSS1 P07477 4/20 0.44
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42

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
SCHEMBL8360334 0.94 F7 (0.56) F7F2F3F10PRSS1
SCHEMBL6790240 0.91 F7 (0.50) F7F2F3F10PRSS1
SCHEMBL8362107 0.91 F7 (0.50) F7F2F3F10PRSS1
SCHEMBL6790244 0.91 F7 (0.50) F7F2F3F10PRSS1
SCHEMBL8361943 0.90 F7 (0.48) F7F2F3F10PRSS1
SCHEMBL8360800 0.89 F7 (0.48) F7F2F3F10PRSS1
SCHEMBL8363673 0.89 F7 (0.65) F7F2F3PRSS1
SCHEMBL8362044 0.88 F7 (0.47) F7F2F3F10PRSS1
SCHEMBL8363565 0.88 F7 (0.61) F7F2F3F10PRSS1
SCHEMBL8362336 0.88 F7 (0.61) F7F2F3F10PRSS1

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