SCHEMBL24012212

SCHEMBL24012212

CO[C@]1(C(F)(F)F)C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccncc3)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.54

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
SCHEMBL24569826 0.90 KLKB1 (0.57) KLKB1
SCHEMBL24012223 0.89 KLKB1 (0.56) KLKB1
SCHEMBL31456845 0.87 KLKB1 (0.42) KLKB1
SCHEMBL20584301 0.87 KLKB1 (0.42) KLKB1
SCHEMBL24570651 0.87 KLKB1 (0.42) KLKB1
SCHEMBL24011969 0.87 KLKB1 (0.64) KLKB1
SCHEMBL24569877 0.87 KLKB1 (0.54) KLKB1
SCHEMBL20584641 0.85 KLKB1 (0.74) KLKB1
SCHEMBL29489450 0.85 KLKB1 (0.74) KLKB1
SCHEMBL24570715 0.84 KLKB1 (0.70) 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
EP-3355890-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2021-11-10 — — EP disclosed
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