SCHEMBL8360844

SCHEMBL8360844

COc1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C#N)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.67
F3 P13726 7/20 0.49
PRSS1 P07477 1/20 0.46
F2 P00734 5/20 0.45

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
SCHEMBL8362597 0.89 F7 (0.71) F7F3PRSS1F2
SCHEMBL8363407 0.88 F7 (0.54) F7F3F2
SCHEMBL8360265 0.88 F7 (0.65) F7F3PRSS1F2
SCHEMBL6790773 0.88 F7 (0.88) F7F3PRSS1F2
SCHEMBL8363525 0.86 F7 (0.75) F7F3PRSS1F2
SCHEMBL8363186 0.85 F7 (0.68) F7F3PRSS1F2
SCHEMBL8363215 0.81 F7 (0.69) F7F3PRSS1F2
SCHEMBL6791951 0.81 F7 (0.84) F7F3PRSS1F2
SCHEMBL8360793 0.80 F7 (0.72) F7F3PRSS1F2
SCHEMBL8362460 0.80 F7 (0.67) 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