SCHEMBL8360296

SCHEMBL8360296

CC(C)Nc1ncc(-c2cc(N)cc(C(=O)NCc3ccc(F)cc3)c2)n(CC(=O)O)c1=O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.66
F3 P13726 8/20 0.48
PRSS1 P07477 1/20 0.48
F2 P00734 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6790727 0.92 F7 (0.67) F7F3PRSS1F2
SCHEMBL6792709 0.88 F7 (0.84) F7F3PRSS1F2
SCHEMBL6791841 0.87 F7 (0.70) F7F3PRSS1F2
SCHEMBL6791838 0.87 F7 (0.70) F7F3PRSS1F2
SCHEMBL6794167 0.87 F7 (0.52) F7F3
SCHEMBL6647525 0.85 F7 (0.70) F7F3PRSS1F2
SCHEMBL6793132 0.84 F7 (0.64) F7F3PRSS1F2
SCHEMBL6793128 0.84 F7 (0.64) F7F3PRSS1F2
SCHEMBL8363213 0.83 F7 (0.57) F7F3PRSS1
SCHEMBL8363403 0.83 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