SCHEMBL5848096

SCHEMBL5848096

CC(C)CC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CN1CCCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.54
CTSS P25774 7/20 0.52
CTSL P07711 6/20 0.52
CTSB P07858 1/20 0.52
CAPN1 P07384 1/20 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
SCHEMBL5850470 1.00 CTSK (0.54) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5848792 1.00 CTSK (0.54) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5848318 1.00 CTSK (0.54) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5849141 0.92 CTSK (0.50) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5848294 0.90 CTSS (0.51) CTSKCTSSCTSLCTSB
SCHEMBL5848116 0.86 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5848783 0.86 DRD2 (0.48)
SCHEMBL5848165 0.85 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5850136 0.85 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5848401 0.85 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1

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
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed