SCHEMBL7419749

SCHEMBL7419749

N#CC1(N(C(N)=O)C(=O)[CH]CC2CCCCC2)CCNC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL7414661 0.94 ALOX5 (0.31) CTSSALOX5
SCHEMBL7021604 0.84 CTSS (0.33) CTSS
SCHEMBL7419193 0.84
SCHEMBL7022583 0.83 CTSS (0.33) CTSS
SCHEMBL7021836 0.80 CTSS (0.33) CTSS
SCHEMBL7414447 0.79 CTSS (0.34) CTSS
SCHEMBL7413990 0.79 CTSS (0.32) CTSS
SCHEMBL7021538 0.78 CTSS (0.30) CTSS
SCHEMBL7417070 0.78
SCHEMBL7412211 0.77 CTSK (0.32)

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-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO disclosed