SCHEMBL4049513

SCHEMBL4049513

CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)CC(C)CO

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.75
CTSS P25774 3/20 0.43
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.38
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
CACNA1B Q00975 1/20 0.37
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CTSB P07858 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4220910 0.94 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4220905 0.94 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL5942191 0.94 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4040409 0.94 CTSK (0.73) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4218537 0.94 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL5942063 0.94 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4218541 0.94 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4218531 0.94 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL4218130 0.91 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD
SCHEMBL5942245 0.91 CTSK (0.78) CTSKCTSSCCR1ALDH1A1HPGD

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed