SCHEMBL24569820

SCHEMBL24569820

CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccn3)ccc2F)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.55
▸ POLB P06746 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
SCHEMBL24570338 0.92 KLKB1 (0.62) KLKB1POLB
SCHEMBL24012260 0.90 KLKB1 (0.56) KLKB1
SCHEMBL21726624 0.86 KLKB1 (0.43) KLKB1POLB
SCHEMBL29489455 0.86 KLKB1 (0.43) KLKB1POLB
SCHEMBL31456778 0.86 KLKB1 (0.43) KLKB1POLB
SCHEMBL24012296 0.85 KLKB1 (0.74) KLKB1
SCHEMBL29581508 0.85 KLKB1 (0.74) KLKB1
SCHEMBL20584646 0.85 KLKB1 (0.74) KLKB1
SCHEMBL21726705 0.85 KLKB1 (0.56) KLKB1POLB
SCHEMBL29581774 0.85 KLKB1 (0.56) KLKB1POLB

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-4019022-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2022-06-29 — — EP disclosed
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