SCHEMBL7478545

SCHEMBL7478545

CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CN1CCN(C(C)C)c2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.46
CTSL P07711 8/20 0.44
CTSS P25774 7/20 0.44
CTSB P07858 3/20 0.44
CAPN1 P07384 1/20 0.44
CAPN2 P17655 1/20 0.44

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
SCHEMBL5850136 0.86 CTSK (0.52) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848116 0.77 CTSK (0.52) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848122 0.76 CTSK (0.51) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848350 0.76 CTSK (0.51) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848519 0.75 CTSK (0.48) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5849048 0.74 CTSK (0.49) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848999 0.74 CTSK (0.49) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848463 0.74 CTSK (0.49) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL6374276 0.74 CTSB (0.41) CTSKCTSLCTSSCTSB
SCHEMBL5850145 0.74 CTSK (0.48) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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