SCHEMBL6965345

SCHEMBL6965345

CC(C)(C)CC(NC(=O)ON1CCOCC1)C(=O)NC1(C#N)CCN(CCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.51
CTSB P07858 7/20 0.46
CTSK P43235 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 5/20 0.43

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
SCHEMBL6966523 0.92 CTSS (0.51) CTSSCTSBCTSKCTSL
SCHEMBL6957068 0.90 CTSS (0.52) CTSSCTSBCTSKCTSL
SCHEMBL6106816 0.89 CTSS (0.65) CTSSCTSBCTSKCTSL
SCHEMBL6968079 0.87 CTSS (0.48) CTSSCTSBCTSKCTSL
SCHEMBL6976139 0.85 CTSS (0.64) CTSSCTSBCTSL
SCHEMBL6972400 0.85 CTSS (0.55) CTSSCTSBCTSKCTSL
SCHEMBL6967060 0.82 CTSS (0.45) CTSSCTSBCTSKCTSL
SCHEMBL6348945 0.82 CTSS (0.49) CTSSCTSBCTSKSMN1; SMN2CTSL
SCHEMBL6348947 0.82 CTSS (0.49) CTSSCTSBCTSKSMN1; SMN2CTSL
SCHEMBL6968559 0.82 CTSS (0.69) CTSSCTSBCTSL

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