SCHEMBL5848294

SCHEMBL5848294

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CN1CCCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.51
CTSK P43235 16/20 0.50
CTSL P07711 7/20 0.47
CTSB P07858 1/20 0.46
CARM1 Q86X55 1/20 0.46

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
SCHEMBL5849141 0.91 CTSK (0.50) CTSSCTSKCTSLCTSB
SCHEMBL5848318 0.90 CTSK (0.54) CTSSCTSKCTSLCTSB
SCHEMBL5848096 0.90 CTSK (0.54) CTSSCTSKCTSLCTSB
SCHEMBL5850470 0.90 CTSK (0.54) CTSSCTSKCTSLCTSB
SCHEMBL5848792 0.90 CTSK (0.54) CTSSCTSKCTSLCTSB
SCHEMBL5848751 0.89 CARM1 (0.47) CTSSCTSKCARM1
SCHEMBL5850375 0.87 CARM1 (0.48) CTSSCTSKCTSLCARM1
SCHEMBL5849089 0.84 CARM1 (0.46) CTSKCARM1
SCHEMBL5849150 0.84 ACACB (0.46) CARM1
SCHEMBL5848753 0.84 CARM1 (0.45) CARM1

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 4 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
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 disclosed