SCHEMBL5850047

SCHEMBL5850047

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CN1CCCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.53
CTSL P07711 9/20 0.53
CTSS P25774 6/20 0.53
CTSB P07858 2/20 0.53
CAPN1 P07384 1/20 0.50

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
SCHEMBL5849923 0.84 CTSK (0.52) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848350 0.84 CTSK (0.51) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848318 0.83 CTSK (0.54) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848792 0.83 CTSK (0.54) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5850470 0.83 CTSK (0.54) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848096 0.83 CTSK (0.54) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5849048 0.82 CTSK (0.49) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5848122 0.82 CTSK (0.51) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5850357 0.82 CHRM2 (0.45) CTSKCTSL
SCHEMBL5850056 0.81 CTSK (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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