SCHEMBL7079980

SCHEMBL7079980

CC(C)CC(NC(=O)Oc1ccc2ccccc2c1)C(=O)NC1(C#N)CCN(CC2CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.47
CTSS P25774 9/20 0.43
CTSK P43235 4/20 0.42
CTSB P07858 3/20 0.42
FAAH O00519 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL6105765 0.88 CTSL (0.53) CTSLCTSSCTSKCTSB
SCHEMBL7085808 0.86 CTSL (0.56) CTSLCTSSCTSKCTSB
SCHEMBL5364061 0.84 CTSK (0.52) CTSLCTSSCTSKCTSB
SCHEMBL3899922 0.81 CTSS (0.43) CTSLCTSSEPHX1
SCHEMBL6974612 0.80 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL6107882 0.75 CTSS (0.64) CTSLCTSS
SCHEMBL3895273 0.75 CTSS (0.48) CTSLCTSSCTSKCTSB
SCHEMBL7690068 0.74 CTSS (0.43) CTSLCTSSCTSKCTSB
SCHEMBL5362015 0.74 CTSS (0.56) CTSLCTSSCTSK
SCHEMBL6106482 0.73 CTSL (0.58) 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