SCHEMBL24570330

SCHEMBL24570330

CO[C@@H]1C[C@H](C(=O)CNc2cc(C(CCC3CC3)N3CCCCC3=O)ccc2F)N(CNc2ccc(Cl)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 9/20 0.51
▸ F10 P00742 5/20 0.32
▸ GPBAR1 Q8TDU6 2/20 0.30
▸ ACACB O00763 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30

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
SCHEMBL24569848 0.90 KLKB1 (0.63) KLKB1F10
SCHEMBL24012262 0.82 KLKB1 (0.60) KLKB1F10
SCHEMBL20584258 0.82 KLKB1 (0.74) KLKB1F10
SCHEMBL29580848 0.82 KLKB1 (0.74) KLKB1F10
SCHEMBL28721772 0.75 KLKB1 (0.55) KLKB1F10HCRTR1
SCHEMBL29582315 0.75 KLKB1 (0.55) KLKB1F10HCRTR1
SCHEMBL20446526 0.72 KLKB1 (0.52) KLKB1F10HCRTR1
SCHEMBL20446528 0.72 KLKB1 (0.52) KLKB1F10HCRTR1
SCHEMBL20446521 0.72 KLKB1 (0.52) KLKB1F10HCRTR1
SCHEMBL20446523 0.72 KLKB1 (0.50) KLKB1F10HCRTR1

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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