SCHEMBL4042205

SCHEMBL4042205

CCCCC(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)Oc1ccc(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.48
CTSL P07711 6/20 0.38
CTSS P25774 5/20 0.38
CTSB P07858 2/20 0.38
ACE P12821 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4044220 0.93 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL4051325 0.89 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4043145 0.89 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4050266 0.89 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL4049584 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBACE2
SCHEMBL4046903 0.88 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4048584 0.88 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4045435 0.88 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4048088 0.88 CTSK (0.53) CTSKCTSSCTSB
SCHEMBL4043745 0.88 CTSK (0.63) 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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed