SCHEMBL7425513

SCHEMBL7425513

CC(C)(C[CH]C(=O)N(CC1CCCCC1)C1(C#N)CCNC1)C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 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
SCHEMBL7017468 0.83
SCHEMBL7023358 0.82 CTSS (0.33) CTSS
SCHEMBL7020795 0.82
SCHEMBL7019868 0.81 CTSS (0.32) CTSS
SCHEMBL7417579 0.80 DPP4 (0.31)
SCHEMBL7021604 0.79 CTSS (0.33) CTSS
SCHEMBL7416474 0.78
SCHEMBL7420043 0.78
SCHEMBL7423675 0.78
SCHEMBL7420191 0.78 SNCA (0.34) CTSS

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