SCHEMBL8363205

SCHEMBL8363205

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.57
F3 P13726 4/20 0.38
PRSS1 P07477 3/20 0.37
SYK P43405 2/20 0.37
F2 P00734 3/20 0.35

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
SCHEMBL8363209 0.86 F7 (0.58) F7F3PRSS1SYKF2
SCHEMBL6793924 0.86 F7 (0.54) F7F3
Hydrochloric Acid SCHEMBL6795206 0.85 F7 (0.53) F7F3
SCHEMBL8362430 0.83 F7 (0.56) F7F3PRSS1SYKF2
SCHEMBL6794047 0.83 F7 (0.70) F7F3PRSS1SYKF2
SCHEMBL8363217 0.82 F7 (0.40) F7F3PRSS1F2
SCHEMBL8363188 0.82 F7 (0.55) F7F3PRSS1SYKF2
SCHEMBL8363213 0.82 F7 (0.57) F7F3PRSS1SYK
SCHEMBL6790727 0.81 F7 (0.67) F7F3PRSS1F2
SCHEMBL6796881 0.81 F7 (0.49) F7F3PRSS1SYK

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