SCHEMBL4039394

SCHEMBL4039394

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)Oc1csc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.42
CTSS P25774 14/20 0.42
CTSK P43235 14/20 0.42
CTSV O60911 2/20 0.38
F12 P00748 1/20 0.36
CTSB P07858 1/20 0.35
GCK P35557 3/20 0.34

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
SCHEMBL4049892 0.91 CTSS (0.37) CTSLCTSSCTSKCTSVF12
SCHEMBL4048674 0.90 CTSS (0.37) CTSLCTSSCTSKCTSVF12
SCHEMBL4044148 0.89 CTSK (0.42) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4043670 0.88 CTSV (0.37) CTSLCTSSCTSVF12GCK
SCHEMBL4047634 0.87 CTSL (0.39) CTSLCTSSCTSKCTSVF12
SCHEMBL4214125 0.87 CTSS (0.38) CTSLCTSSCTSKCTSVF12
SCHEMBL4042447 0.86 CTSL (0.43) CTSLCTSSCTSKCTSVCTSB
SCHEMBL4043598 0.85 CTSS (0.37) CTSLCTSSCTSKCTSVF12
SCHEMBL4044172 0.85 CTSS (0.36) CTSLCTSSCTSKCTSVF12
SCHEMBL4048072 0.85 CTSV (0.39) CTSLCTSSCTSKCTSVF12

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