SCHEMBL7418241

SCHEMBL7418241

CS(=O)(=O)Nc1cncc2c(NC(CC3CCCCC3)C(=O)NC3(CC#N)CCNCC3)ncn12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.34
CTSS P25774 2/20 0.34
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
CPB2 Q96IY4 2/20 0.30

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
SCHEMBL5367841 0.83 CTSS (0.48) CTSLCTSSCTSBCTSK
SCHEMBL7419026 0.71 LONP1 (0.42) CTSLCTSSCTSBCTSKCPB2
SCHEMBL7417521 0.70 CTSS (0.38) CTSLCTSSCTSBCTSK
SCHEMBL7422882 0.70 CTSS (0.38) CTSLCTSSCTSBCTSK
SCHEMBL7012870 0.69 CTSS (0.41) CTSLCTSSCTSBCTSK
SCHEMBL5363187 0.68 CTSS (0.39) CTSLCTSSCTSBCTSK
SCHEMBL7008282 0.68 CTSL (0.40) CTSLCTSSCTSBCTSK
SCHEMBL7536451 0.67 LONP1 (0.41) CTSLCTSSCTSBCTSK
SCHEMBL7417783 0.66 CTSS (0.42) CTSLCTSSCTSBCTSKCPB2
SCHEMBL7007715 0.66 CTSS (0.39) CTSLCTSSCTSBCTSKCPB2

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