SCHEMBL17480784

SCHEMBL17480784

O=C(O)c1ccc2[nH]c([C@H](Cc3ccc(F)cc3)c3ccc(-c4c(F)ccc(Cl)c4F)c[n+]3[O-])nc2c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.52
KLK1 P06870 7/20 0.52
KLKB1 P03952 6/20 0.40

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
SCHEMBL17480787 1.00 F11 (0.52) F11KLK1KLKB1
SCHEMBL17477791 0.95 F11 (0.58) F11KLK1KLKB1
SCHEMBL17477807 0.95 F11 (0.58) F11KLK1KLKB1
SCHEMBL17477793 0.95 F11 (0.58) F11KLK1KLKB1
SCHEMBL20979650 0.92 F11 (0.43) F11KLK1
SCHEMBL17481104 0.89 F11 (0.42) F11KLK1
SCHEMBL17481099 0.87 F11 (0.48) F11KLK1KLKB1
SCHEMBL20979725 0.86 F11 (0.49) F11KLK1KLKB1
SCHEMBL20979584 0.86 F11 (0.49) F11KLK1KLKB1
SCHEMBL17480788 0.81 F11 (0.45) F11KLK1KLKB1

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-2016018701-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 WO disclosed