SCHEMBL20713656

SCHEMBL20713656

N=C(N)NCCCCCNC(=O)c1csc(C2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.64
USP30 Q70CQ3 1/20 0.40
GFER P55789 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL20705066 0.88 KLKB1 (0.80) KLKB1
SCHEMBL20713875 0.88 KLKB1 (0.80) KLKB1
SCHEMBL20713718 0.88 KLKB1 (0.80) KLKB1
SCHEMBL20705283 0.88 KLKB1 (0.80) KLKB1
SCHEMBL20705061 0.88 KLKB1 (0.80) KLKB1
SCHEMBL20705064 0.88 KLKB1 (0.80) KLKB1
SCHEMBL20705257 0.88 KLKB1 (0.80) KLKB1
SCHEMBL20705205 0.87 KLKB1 (0.83) KLKB1
SCHEMBL20713778 0.87 KLKB1 (0.65) KLKB1USP30
SCHEMBL22277317 0.87 KLKB1 (0.65) KLKB1USP30

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-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed