SCHEMBL8362014

SCHEMBL8362014

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.60
F3 P13726 9/20 0.45
F2 P00734 6/20 0.44
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
SCHEMBL6796661 1.00 F7 (0.60) F7F3F2PRSS1
SCHEMBL8360866 0.93 F7 (0.63) F7F3F2PRSS1
SCHEMBL8361826 0.92 F7 (0.63) F7F3F2PRSS1
SCHEMBL8363309 0.92 F7 (0.63) F7F3F2PRSS1
Trifluoroacetic Acid SCHEMBL6788270 0.91 F7 (0.60) F7F3F2PRSS1
Trifluoroacetic Acid SCHEMBL6788263 0.91 F7 (0.60) F7F3F2PRSS1
SCHEMBL8360143 0.90 F7 (0.64) F7F3F2PRSS1
SCHEMBL8360211 0.90 F7 (0.63) F7F3F2PRSS1
SCHEMBL8360919 0.89 F7 (0.68) F7F3F2PRSS1
Trifluoroacetic Acid SCHEMBL6794476 0.88 F7 (0.61) 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