SCHEMBL7553452

SCHEMBL7553452

CC(C)CC(NC(=O)OCc1ccncc1)C(=O)N(C)C#N

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.64
CTSL P07711 12/20 0.64
CTSS P25774 11/20 0.64
CTSB P07858 7/20 0.64

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
SCHEMBL6183072 0.89 CTSK (0.80) CTSKCTSLCTSSCTSB
SCHEMBL6183542 0.81 CTSL (0.81) CTSKCTSLCTSSCTSB
SCHEMBL27483446 0.81 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL27563904 0.81 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL7159540 0.81 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL6580230 0.81 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL7046888 0.81 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL7554406 0.80 CTSB (0.61) CTSKCTSLCTSSCTSB
SCHEMBL27509566 0.80 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL7166484 0.80 CTSK (0.55) CTSKCTSLCTSSCTSB

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-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed