SCHEMBL6186155

SCHEMBL6186155

CN(C#N)C(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 17/20 0.44
PCNA P12004 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
SCHEMBL6185000 0.83 F10 (0.41) CTSLCTSBCTSS
SCHEMBL6185005 0.83 F10 (0.41) CTSLCTSBCTSS
SCHEMBL6406102 0.80 MEN1 (0.39) CTSLCTSBCTSS
SCHEMBL5523334 0.79 CTSS (0.46) CTSLCTSS
SCHEMBL6189089 0.79 F10 (0.40) CTSLCTSBCTSS
SCHEMBL6190599 0.74 CTSS (0.47) CTSLCTSBCTSS
SCHEMBL6190597 0.74 CTSS (0.47) CTSLCTSBCTSS
SCHEMBL6186263 0.74 CTSK (0.40) CTSLCTSBCTSS
SCHEMBL6186265 0.74 CTSK (0.40) CTSLCTSBCTSS
SCHEMBL5523879 0.72 CTSS (0.66) CTSLCTSBCTSS

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-1539725-A1 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-06-15 EP disclosed
WO-2004026851-A1 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-01 WO disclosed