SCHEMBL17073452

SCHEMBL17073452

N=Cc1cccc([C@@H](NCC2CC2)c2ccc(F)c(NCC3CC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.42
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL17064891 0.85 KLKB1 (0.50) KLKB1
SCHEMBL17073530 0.85 KLKB1 (0.50) KLKB1
SCHEMBL18623226 0.80 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL29580643 0.80 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL29825742 0.80 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL17064666 0.80 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL25891617 0.74 KLKB1 (0.49) KLKB1
SCHEMBL23428909 0.74 KLKB1 (0.49) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL29581037 0.72 KLKB1 (0.46) KLKB1
SCHEMBL17064336 0.72 KLKB1 (0.46) 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
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed