SCHEMBL19972786

SCHEMBL19972786

CN(C)c1ccc(/N=N/c2ccc(NCCc3cc(F)c(OCC(=O)[C@H](CCCCN)NC(=O)c4cccc(N=[N+]=[N-])c4)c(F)c3)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
CTSH P09668 1/20 0.39

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
SCHEMBL19972757 0.95 CTSK (0.40) CTSKCTSH
SCHEMBL19982971 0.93 PRSS1 (0.39)
SCHEMBL19983033 0.93 PRSS1 (0.39)
SCHEMBL23023501 0.91 CTSK (0.37) CTSKCTSH
SCHEMBL19982989 0.89 CTSK (0.40) CTSKCTSH
SCHEMBL19982920 0.89 CTSK (0.39) CTSKCTSH
SCHEMBL21113155 0.89 CTSK (0.39) CTSKCTSH
SCHEMBL19982922 0.89 CTSK (0.39) CTSKCTSH
SCHEMBL25661000 0.87 CTSK (0.38) CTSKCTSH
SCHEMBL21152665 0.84 ALB (0.39)

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-3512846-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-24 EP disclosed
WO-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO disclosed