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Sugi Predict / Compounds / SCHEMBL7418162

SCHEMBL7418162

SCHEMBL7418162

CN1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)Cc2cccs2)CC1.CN1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 14/20 0.51
▸ CTSL P07711 8/20 0.51
▸ CTSC P53634 3/20 0.41
▸ PPM1D O15297 2/20 0.39
▸ CTSB P07858 2/20 0.37
▸ CTSK P43235 2/20 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
SCHEMBL6110712 0.91 CTSS (0.61) CTSSCTSLCTSCCTSBCTSK
SCHEMBL6105981 0.90 CTSS (0.59) CTSSCTSLPPM1DCTSBCTSK
SCHEMBL6108159 0.84 CTSS (0.60) CTSSCTSLCTSCCTSBCTSK
SCHEMBL5366830 0.78 CTSS (0.59) CTSSCTSLCTSCCTSB
SCHEMBL5445277 0.78 CTSS (0.47) CTSSCTSLCTSC
SCHEMBL6975205 0.78 CTSS (0.58) CTSSCTSLCTSBCTSK
SCHEMBL6107100 0.78 CTSS (0.58) CTSSCTSLCTSBCTSK
SCHEMBL5357750 0.76 CTSL (0.66) CTSSCTSLCTSBCTSK
SCHEMBL5362056 0.76 CTSL (0.68) CTSSCTSLCTSBCTSK
SCHEMBL6105100 0.75 CTSS (0.52) CTSSCTSLCTSBCTSK

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