SCHEMBL20705247

SCHEMBL20705247

NC1CC(c2nc(C(=O)O)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.71
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL20713766 1.00 KLKB1 (0.71) KLKB1HRH4HRH3
SCHEMBL31181741 0.93 KLKB1 (0.71) KLKB1HRH4HRH3
SCHEMBL22264107 0.91 KLKB1 (0.60) KLKB1HRH4HRH3
SCHEMBL20705271 0.91 KLKB1 (0.60) KLKB1HRH4HRH3
SCHEMBL22277305 0.89 KLKB1 (0.69) KLKB1HRH4HRH3
SCHEMBL20705197 0.87 KLKB1 (0.60) KLKB1
SCHEMBL20705114 0.87 KLKB1 (0.60) KLKB1
SCHEMBL20705289 0.86 KLKB1 (0.61) KLKB1
SCHEMBL20713633 0.86 KLKB1 (0.61) KLKB1
SCHEMBL20705067 0.83 KLKB1 (0.59) KLKB1HRH4HRH3

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