SCHEMBL4226635

SCHEMBL4226635

CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)[C@@H]1CCCN1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.70
CTSS P25774 3/20 0.45
CCR1 P32246 1/20 0.36
DPP4 P27487 5/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CACNA1B Q00975 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
CTSB P07858 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
SCHEMBL4040567 1.00 CTSK (0.70) CTSKCTSSCCR1DPP4CTSV
SCHEMBL5942437 1.00 CTSK (0.70) CTSKCTSSCCR1DPP4CTSV
SCHEMBL5941483 1.00 CTSK (0.70) CTSKCTSSCCR1DPP4CTSV
SCHEMBL5942439 1.00 CTSK (0.70) CTSKCTSSCCR1DPP4CTSV
SCHEMBL4226639 1.00 CTSK (0.70) CTSKCTSSCCR1DPP4CTSV
SCHEMBL4041512 0.98 CTSK (0.69) CTSKCTSSCCR1DPP4CTSV
SCHEMBL4215814 0.98 CTSK (0.69) CTSKCTSSCCR1DPP4CTSV
SCHEMBL5942030 0.98 CTSK (0.69) CTSKCTSSCCR1DPP4CTSV
SCHEMBL4209859 0.98 CTSK (0.69) CTSKCTSSCCR1DPP4CTSV
SCHEMBL4037520 0.92 CTSK (0.60) CTSKCTSSCCR1DPP4CTSV

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 disclosed