SCHEMBL21699863

SCHEMBL21699863

CCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)NC(CCc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.83
KLK1 P06870 6/20 0.71

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
SCHEMBL24759092 1.00 KLKB1 (0.83) KLKB1KLK1
SCHEMBL17268102 0.95 KLKB1 (0.91) KLKB1KLK1
SCHEMBL21699873 0.95 KLKB1 (0.91) KLKB1KLK1
SCHEMBL23517198 0.95 KLKB1 (0.91) KLKB1KLK1
SCHEMBL14555079 0.95 KLKB1 (0.91) KLKB1KLK1
Hydrochloric Acid SCHEMBL14485639 0.94 KLKB1 (0.89) KLKB1KLK1
Hydrochloric Acid SCHEMBL20136153 0.94 KLKB1 (0.89) KLKB1KLK1
SCHEMBL15901297 0.91 KLKB1 (0.83) KLKB1KLK1
SCHEMBL14488775 0.91 KLKB1 (0.83) KLKB1KLK1
SCHEMBL21669910 0.90 KLKB1 (0.88) 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 disclosed