SCHEMBL21669878

SCHEMBL21669878

CCOc1ccc(CC(NC(=O)CNC(=O)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.76
KLK1 P06870 5/20 0.72

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
SCHEMBL14485310 1.00 KLKB1 (0.76) KLKB1KLK1
SCHEMBL14486100 0.95 KLKB1 (0.83) KLKB1KLK1
SCHEMBL14486175 0.90 KLKB1 (0.77) KLKB1KLK1
SCHEMBL14486088 0.90 KLKB1 (0.83) KLKB1KLK1
SCHEMBL14486095 0.90 KLKB1 (0.83) KLKB1KLK1
SCHEMBL14486154 0.87 KLKB1 (0.79) KLKB1KLK1
SCHEMBL14486149 0.87 KLKB1 (0.79) KLKB1KLK1
SCHEMBL14486086 0.87 KLKB1 (1.00) KLKB1KLK1
SCHEMBL14486085 0.87 KLKB1 (1.00) KLKB1KLK1
SCHEMBL14486163 0.87 KLKB1 (0.85) KLKB1KLK1

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
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 EP claimed