SCHEMBL24570383

SCHEMBL24570383

CO[C@@H]1C[C@H](C(O)Nc2cc(C(CCC3CC3)N3CCCCC3=O)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 8/20 0.44
▸ TRPV1 Q8NER1 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ TRPV3 Q8NET8 2/20 0.30
▸ CCR3 P51677 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL20446526 0.87 KLKB1 (0.52) KLKB1TRPV1USP30LMNANPSR1
SCHEMBL20446521 0.87 KLKB1 (0.52) KLKB1TRPV1USP30LMNANPSR1
SCHEMBL20446528 0.87 KLKB1 (0.52) KLKB1TRPV1USP30LMNANPSR1
SCHEMBL29582315 0.81 KLKB1 (0.55) KLKB1
SCHEMBL28721772 0.81 KLKB1 (0.55) KLKB1
SCHEMBL20446523 0.75 KLKB1 (0.50) KLKB1LMNA
SCHEMBL20584700 0.73 KLKB1 (0.52) KLKB1USP30LMNANPSR1
SCHEMBL20584697 0.73 KLKB1 (0.52) KLKB1USP30LMNANPSR1
SCHEMBL20584698 0.73 KLKB1 (0.52) KLKB1USP30LMNANPSR1
SCHEMBL29580856 0.73 KLKB1 (0.52) KLKB1USP30LMNANPSR1

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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