SCHEMBL20446554

SCHEMBL20446554

CCO[C@H]1CN[C@@H](C(=O)Nc2cc(CC[C@@](N)(c3ccncc3)C3CC3)ccc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.44
▸ PARP1 P09874 2/20 0.32
▸ F2 P00734 1/20 0.31

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
SCHEMBL20446587 0.92 KLKB1 (0.45) KLKB1PARP1F2
SCHEMBL20446531 0.88 KLKB1 (0.47) KLKB1PARP1F2
SCHEMBL20446458 0.88 KLKB1 (0.47) KLKB1PARP1F2
SCHEMBL20446508 0.87 KLKB1 (0.47) KLKB1PARP1
SCHEMBL20446462 0.84 KLKB1 (0.45) KLKB1F2
SCHEMBL20446530 0.83 KLKB1 (0.38) KLKB1PARP1F2
SCHEMBL20446615 0.83 KLKB1 (0.42) KLKB1
SCHEMBL20584676 0.82 KLKB1 (0.66) KLKB1
SCHEMBL20446540 0.80 KLKB1 (0.45) KLKB1PARP1
SCHEMBL17064776 0.80 KLKB1 (0.41) KLKB1PARP1

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-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 — — EP disclosed
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