SCHEMBL7018986

SCHEMBL7018986

CC(CCNC(=O)OCc1ccccc1)CC(=O)N(Cc1ccccc1)C1(C#N)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.43
CTSL P07711 7/20 0.43
CTSB P07858 6/20 0.43
CTSK P43235 4/20 0.43
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7021496 0.95 CTSS (0.41) CTSSCTSLCTSBCTSKSLC1A3
SCHEMBL7416916 0.85 CTSS (0.35) CTSSCTSLCTSBCTSKSLC1A3
SCHEMBL7435739 0.83 NR1H4 (0.35) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL6565858 0.81 NR1H4 (0.36) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL7018983 0.77 CTSK (0.58) CTSSCTSLCTSBCTSK
SCHEMBL7426246 0.77 NR1H4 (0.34) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL6181955 0.75 CTSS (0.46) CTSSCTSLCTSBCTSKSLC1A3
SCHEMBL7021621 0.74 RXFP1 (0.34) CTSSCTSLCTSBCTSK
SCHEMBL7441339 0.74 NR1H4 (0.37) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL6565033 0.74 NR1H4 (0.37) LMNASMN1; SMN2GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003529546-A 2003-10-07 JP claimed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP claimed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
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