SCHEMBL13726933

SCHEMBL13726933

C=C/C(Cl)=C\C=C(/N)NC(=O)N1C[C@H](OC)C[C@@H]1C(=O)Nc1ccc(N2CCCCCC2=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.47
▸ TYK2 P29597 1/20 0.35
▸ CFD P00746 2/20 0.34
▸ KLKB1 P03952 2/20 0.33
▸ F2 P00734 1/20 0.32

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
SCHEMBL14143346 0.97 F10 (0.48) F10TYK2CFDKLKB1
SCHEMBL13725896 0.82 F10 (0.55) F10CFD
SCHEMBL3828769 0.81 F10 (0.51) F10TYK2
SCHEMBL3829968 0.81 F10 (0.69) F10KLKB1F2
SCHEMBL3832154 0.81 F10 (0.70) F10KLKB1F2
SCHEMBL3836109 0.81 F10 (0.70) F10KLKB1F2
SCHEMBL3835819 0.78 F10 (0.55) F10KLKB1
SCHEMBL3828327 0.78 F10 (0.71) F10KLKB1F2
SCHEMBL3828777 0.78 F10 (0.48) F10TYK2
SCHEMBL3833444 0.78 F10 (0.56) F10KLKB1

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
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 — — EP disclosed
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