SCHEMBL7077504

SCHEMBL7077504

CC(C)CC(N)C(=O)N(CC1CCCCC1)C1(C#N)CCNC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
DPP4 P27487 2/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL7023358 0.77 CTSS (0.33) CTSS
SCHEMBL6565014 0.75 CTSL (0.38) CTSS
SCHEMBL7425513 0.73 CTSS (0.31) CTSS
SCHEMBL7019868 0.71 CTSS (0.32) CTSSALOX5
SCHEMBL7021836 0.71 CTSS (0.33) CTSS
SCHEMBL7021604 0.68 CTSS (0.33) CTSS
SCHEMBL7420043 0.68
SCHEMBL7022583 0.67 CTSS (0.33) CTSS
SCHEMBL7021425 0.66 CTSS (0.31) CTSS
SCHEMBL7021538 0.65 CTSS (0.30) 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 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