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Sugi Predict / Compounds / SCHEMBL7015937

SCHEMBL7015937

SCHEMBL7015937

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC1(C#N)CCN(C)CC1.N#CC1(NC(=O)C2(NC(=O)OCc3ccccc3)CCCCC2)CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 14/20 0.51
▸ CTSK P43235 11/20 0.51
▸ CTSS P25774 9/20 0.51
▸ CTSB P07858 5/20 0.51

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
SCHEMBL5364108 0.89 CTSK (0.58) CTSLCTSKCTSSCTSB
SCHEMBL5372347 0.86 CTSL (0.61) CTSLCTSKCTSSCTSB
SCHEMBL5357035 0.86 CTSL (0.63) CTSLCTSKCTSSCTSB
SCHEMBL5364328 0.85 CTSS (0.61) CTSLCTSKCTSSCTSB
SCHEMBL5364061 0.81 CTSK (0.52) CTSLCTSKCTSSCTSB
SCHEMBL6183597 0.79 CTSL (0.67) CTSLCTSKCTSSCTSB
SCHEMBL5366893 0.79 CTSS (0.62) CTSLCTSKCTSSCTSB
SCHEMBL5360365 0.79 CTSL (0.48) CTSLCTSKCTSSCTSB
SCHEMBL5360374 0.79 CTSL (0.48) CTSLCTSKCTSSCTSB
SCHEMBL5357026 0.78 CTSL (0.47) CTSLCTSKCTSSCTSB

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 3 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