SCHEMBL8360912

SCHEMBL8360912

CC(C)Nc1ncc(-c2cc(N)cc(NC(=O)C(C)C)c2)n(CC(=O)NCc2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.63
F3 P13726 8/20 0.47
F2 P00734 6/20 0.46
PRSS1 P07477 2/20 0.46

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
SCHEMBL6791600 0.92 F7 (0.66) F7F3F2PRSS1
SCHEMBL8363450 0.91 F7 (0.60) F7F3F2PRSS1
SCHEMBL6792612 0.91 F7 (0.65) F7F3F2PRSS1
SCHEMBL6794564 0.91 F7 (0.66) F7F3F2PRSS1
SCHEMBL8363615 0.91 F7 (0.68) F7F3F2PRSS1
SCHEMBL8360188 0.90 F7 (0.76) F7F3F2PRSS1
SCHEMBL8363576 0.90 F7 (0.69) F7F3F2PRSS1
SCHEMBL8363328 0.89 F7 (0.58) F7F3F2PRSS1
SCHEMBL8360784 0.89 F7 (0.64) F7F3F2PRSS1
SCHEMBL8360753 0.88 F7 (0.72) 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