SCHEMBL20705271

SCHEMBL20705271

O=C(O)c1csc(C2CC(O)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 18/20 0.60
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GFER P55789 1/20 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
SCHEMBL22264107 1.00 KLKB1 (0.60) KLKB1HRH4HRH3GFER
SCHEMBL20713766 0.91 KLKB1 (0.71) KLKB1HRH4HRH3
SCHEMBL20705247 0.91 KLKB1 (0.71) KLKB1HRH4HRH3
SCHEMBL31181741 0.84 KLKB1 (0.71) KLKB1HRH4HRH3
SCHEMBL20705067 0.83 KLKB1 (0.59) KLKB1HRH4HRH3GFER
SCHEMBL20705069 0.83 KLKB1 (0.59) KLKB1HRH4HRH3GFER
SCHEMBL20705172 0.81 KLKB1 (0.53) KLKB1HRH4HRH3
SCHEMBL20713722 0.81 KLKB1 (0.53) KLKB1HRH4HRH3
SCHEMBL22277305 0.81 KLKB1 (0.69) KLKB1HRH4HRH3
SCHEMBL20705114 0.79 KLKB1 (0.60) KLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661922-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Dyax Corp. (US) 2020-06-10 EP disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed