SCHEMBL7085808

SCHEMBL7085808

CC(C)CC(NC(=O)Oc1ccc2ccccc2c1)C(=O)NC1(C#N)CCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.56
CTSS P25774 7/20 0.46
CTSK P43235 6/20 0.46
CTSB P07858 4/20 0.46
UTS2R Q9UKP6 1/20 0.42

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
SCHEMBL6106482 0.87 CTSL (0.58) CTSLCTSSCTSKCTSB
SCHEMBL7079980 0.86 CTSL (0.47) CTSLCTSSCTSKCTSB
SCHEMBL5364108 0.85 CTSK (0.58) CTSLCTSSCTSKCTSB
SCHEMBL6964964 0.84 CTSS (0.53) CTSLCTSSCTSKCTSB
SCHEMBL3892995 0.80 CTSL (0.45) CTSLCTSSCTSKCTSB
SCHEMBL5372347 0.80 CTSL (0.61) CTSLCTSSCTSKCTSB
SCHEMBL7081891 0.79 CTSS (0.50) CTSLCTSSCTSKCTSB
SCHEMBL6107975 0.79 CTSS (0.60) CTSLCTSS
SCHEMBL13939001 0.78 CTSS (0.52) CTSLCTSSCTSKCTSB
SCHEMBL5361985 0.77 CTSS (0.51) CTSLCTSSCTSKCTSB

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
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP claimed