SCHEMBL17064978

SCHEMBL17064978

COC(=O)Nc1cc(C(CCC2CC2)c2ncc[nH]c2=O)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.39
VCP P55072 1/20 0.33
PARP1 P09874 1/20 0.33
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL17064825 0.92 KLKB1 (0.37) KLKB1VCPPARP1USP30
SCHEMBL17064774 0.81 KCNH2 (0.33) PARP1
SCHEMBL17064969 0.76 KLKB1 (0.39) KLKB1
SCHEMBL18604783 0.75 KLKB1 (0.57) KLKB1
SCHEMBL17064820 0.75 KLKB1 (0.38) KLKB1USP30
SCHEMBL17064477 0.75 KLKB1 (0.40) KLKB1USP30
SCHEMBL17073498 0.74 KLKB1 (0.38) KLKB1USP30
SCHEMBL18604738 0.74 KLKB1 (0.71) KLKB1
SCHEMBL17064963 0.73 KLKB1 (0.42) KLKB1
SCHEMBL17064739 0.71 KLKB1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed