SCHEMBL28938019

SCHEMBL28938019

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.54
F10 P00742 2/20 0.42
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GLA P06280 1/20 0.35
CFD P00746 2/20 0.34

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
SCHEMBL27074546 0.90 KLKB1 (0.53) KLKB1F10HCRTR1HCRTR2GLA
SCHEMBL20584697 0.90 KLKB1 (0.52) KLKB1F10
SCHEMBL29580856 0.90 KLKB1 (0.52) KLKB1F10
SCHEMBL20584698 0.90 KLKB1 (0.52) KLKB1F10
SCHEMBL20584700 0.90 KLKB1 (0.52) KLKB1F10
SCHEMBL28938012 0.84 KLKB1 (0.76) KLKB1F10
SCHEMBL20584573 0.80 KLKB1 (0.51) KLKB1F10CFD
SCHEMBL20446447 0.80 KLKB1 (0.51) KLKB1F10CFD
SCHEMBL20584575 0.80 KLKB1 (0.51) KLKB1F10CFD
SCHEMBL17064969 0.79 KLKB1 (0.39) 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
CN-108289893-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-04-12 CN disclosed