SCHEMBL4044727

SCHEMBL4044727

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)Oc1cc2sccc2s1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.38
CTSL P07711 4/20 0.34
CTSS P25774 4/20 0.34
CTSV O60911 2/20 0.34
F12 P00748 1/20 0.30

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
SCHEMBL4046471 0.92 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL4041899 0.91 CTSK (0.39) CTSKCTSLCTSS
SCHEMBL4040702 0.90 CTSK (0.38) CTSKCTSLCTSS
SCHEMBL6233659 0.89 CTSK (0.44) CTSKCTSLCTSSCTSV
SCHEMBL4048681 0.89 CTSL (0.32) CTSKCTSLCTSSCTSV
SCHEMBL4048926 0.86 CTSL (0.39) CTSKCTSLCTSSCTSV
SCHEMBL4043092 0.84 CTSL (0.32) CTSKCTSLCTSSCTSV
SCHEMBL4051435 0.83 HTRA1 (0.33) CTSKCTSLCTSSCTSV
SCHEMBL4046025 0.82 CTSK (0.49) CTSKCTSLCTSS
SCHEMBL4041473 0.81 CTSS (0.41) CTSKCTSLCTSSCTSVF12

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