SCHEMBL7414895

SCHEMBL7414895

CC(C)(C)CC(NC(=O)c1cnccn1)C(=O)N(Cc1ccccc1)C1(C#N)CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
LONP1 P36776 13/20 0.40
PSMB5 P28074 11/20 0.39
PSMB8 P28062 10/20 0.39
PSMB9 P28065 10/20 0.39
PSMB6 P28072 10/20 0.39
PSMB10 P40306 10/20 0.39
PSMB11 A5LHX3 9/20 0.39
PSMA7 O14818 9/20 0.39
PSMB1 P20618 9/20 0.39
PSMA1 P25786 9/20 0.39
PSMA2 P25787 9/20 0.39
PSMA3 P25788 9/20 0.39
PSMA4 P25789 9/20 0.39
PSMA5 P28066 9/20 0.39
PSMB4 P28070 9/20 0.39
PSMB3 P49720 9/20 0.39
PSMB2 P49721 9/20 0.39
PSMA6 P60900 9/20 0.39
PSMA8 Q8TAA3 9/20 0.39

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
SCHEMBL7419241 0.86 CTSL (0.43) CTSLCTSS
SCHEMBL7420982 0.79 CTSL (0.36) CTSLCTSS
SCHEMBL7423676 0.70 CTSL (0.44) CTSLCTSS
SCHEMBL6107017 0.70 CTSL (0.49) CTSLLONP1PSMB5PSMB8PSMB9
SCHEMBL7417228 0.69 CTSL (0.44) CTSLPSMB5CTSS
SCHEMBL7419135 0.68 CTSS (0.45) CTSLCTSS
SCHEMBL25286452 0.68 LONP1 (0.50) CTSLLONP1PSMB5PSMB8PSMB9
SCHEMBL29414306 0.68 LONP1 (0.50) CTSLLONP1PSMB5PSMB8PSMB9
SCHEMBL25286453 0.68 LONP1 (0.50) CTSLLONP1PSMB5PSMB8PSMB9
SCHEMBL7413188 0.68 CTSS (0.39) CTSLCTSS

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