SCHEMBL19983106

SCHEMBL19983106

[N-]=[N+]=Nc1cccc(C(=O)N[C@@H](CCCCN)C(=O)CCOc2c(F)cccc2F)c1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
CTSH P09668 1/20 0.48
CTSB P07858 1/20 0.40

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
SCHEMBL19972765 0.93 CTSK (0.56) CTSKCTSHCTSB
SCHEMBL19972768 0.93 CTSK (0.56) CTSKCTSHCTSB
SCHEMBL23023464 0.92 CTSK (0.55) CTSKCTSHCTSB
SCHEMBL17665993 0.86 CTSK (0.55) CTSKCTSHCTSB
SCHEMBL17646358 0.86 CTSK (0.55) CTSKCTSHCTSB
SCHEMBL25658991 0.85 CTSK (0.46) CTSKCTSH
SCHEMBL17661708 0.82 CTSK (0.49) CTSKCTSHCTSB
SCHEMBL17661705 0.82 CTSK (0.49) CTSKCTSHCTSB
SCHEMBL19983290 0.79 CTSH (0.41) CTSKCTSH
SCHEMBL19688639 0.79 CTSK (0.43) CTSKCTSHCTSB

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