SCHEMBL13725870

SCHEMBL13725870

CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2F)N(C(=O)Nc2ccc(C)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.62
▸ KLKB1 P03952 2/20 0.41
▸ CFD P00746 2/20 0.37

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
SCHEMBL3833337 0.94 F10 (0.71) F10KLKB1
SCHEMBL14039674 0.89 F10 (0.50) F10KLKB1
SCHEMBL14039720 0.85 F10 (0.73) F10KLKB1
SCHEMBL3828763 0.84 F10 (0.49) F10KLKB1
SCHEMBL13694709 0.83 F10 (0.63) F10KLKB1CFD
SCHEMBL8445067 0.82 F10 (0.66) F10KLKB1
SCHEMBL8450358 0.81 F10 (0.68) F10KLKB1
SCHEMBL8467017 0.81 F10 (0.69) F10KLKB1
SCHEMBL3835506 0.81 F10 (0.69) F10KLKB1
SCHEMBL3834686 0.81 F10 (0.74) 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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