SCHEMBL20713640

SCHEMBL20713640

CNC(=O)CNC(=O)c1csc(C2CCCN2C(=O)c2cn3cc(C)ccc3n2)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.55
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL20713648 0.92 KLKB1 (0.64) KLKB1
SCHEMBL20713763 0.92 KLKB1 (0.64) KLKB1
SCHEMBL20713816 0.90 KLKB1 (0.52) KLKB1EGLN1
SCHEMBL20713727 0.90 KLKB1 (0.52) KLKB1
SCHEMBL20713724 0.89 KLKB1 (0.51) KLKB1
SCHEMBL20713634 0.84 KLKB1 (0.43) KLKB1TRPC3TRPC6
SCHEMBL20713771 0.82 TRPC3 (0.42) KLKB1TRPC3TRPC6
SCHEMBL20713642 0.79 KLKB1 (0.40) KLKB1
SCHEMBL20713774 0.78 ACKR3 (0.44) KLKB1
SCHEMBL20713881 0.78 KLKB1 (0.38) 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 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